[1] (1R,2S)-(−)-Norephedrine [C9H13NO] [CAS 492-41-1; InChIKey DLNKOYKMWOXYQA-CBAPKCEASA-N; R by Asch

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1 substances in Reaxys

2017-11-08 16h:20m:21s (EST)

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H 2N H

Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals

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Reaxys ID 2207678 View in Reaxys

1/1 CAS Registry Number: 492-41-1 Chemical Name: (1R,2S) -norephedrine; (1R,2S)-Norephedrine Linear Structure Formula: NH2CH(CH3)CH(C6H5)OH Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: DLNKOYKMWOXYQA-CBAPKCEASA-N Note:

H H 2N

Substance Label (70) Label References 6

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(1R,2S)-15

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14S

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Formula 4

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metry; vol. 24; nb. 1; (2013); p. 14 - 22, View in Reaxys; Chennakesava Rao; Arun; Easwaramoorthi; Balachandran; Prakasam; Eswara Yuvaraj; Perumal; Bioorganic and Medicinal Chemistry Letters; vol. 24; nb. 14; (2014); p. 3057 - 3063, View in Reaxys (1R,2S)-9

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(1R,2S)-12

Bentley, Keith W.; Wolf, Christian; Journal of Organic Chemistry; vol. 79; nb. 14; (2014); p. 6517 - 6531, View in Reaxys

Al-Meshal, Ibrahim A.; Nasir, Mohammad; El-Feraly, Farouk S.; Phytochemistry (Elsevier); vol. 25; nb. 9; (1986); p. 2241 - 2242, View in Reaxys; Gunderson, Karl G.; Shapiro, Michael J.; Doti, Robert A.; Skiles, Jerry W.; Tetrahedron Asymmetry; vol. 10; nb. 17; (1999); p. 3263 - 3266, View in Reaxys; Petra, Danielle G. I.; Kamer, Paul C. J.; Van Leeuwen, Piet W. N. M.; Goubitz, Kees; Van Loon, Arjen M.; De Vries, Johannes G.; Schoemaker, Hans E.; European Journal of Inorganic Chemistry; nb. 12; (1999); p. 2335 - 2341, View in Reaxys; Cheung, Fung Kei; Hayes, Aidan M.; Morris, David J.; Wills, Martin; Organic and Biomolecular Chemistry; vol. 5; nb. 7; (2007); p. 1093 - 1103, View in Reaxys; Laczkowski, Krzysztof Z.; Acta Poloniae Pharmaceutica - Drug Research; vol. 70; nb. 2; (2013); p. 237 - 244, View in Reaxys

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(1R,2S)-7a

Aydin, A. Ebru; Applied Organometallic Chemistry; vol. 27; nb. 5; (2013); p. 283 - 289, View in Reaxys

20b

Das, Priyabrata; De Brabander, Jef K.; Tetrahedron; vol. 69; nb. 36; (2013); p. 7646 - 7652, View in Reaxys

6; (1R,2S)-6

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(1R,2S)-19

Bentley, Keith W.; Nam, Yea G.; Murphy, Jaslynn M.; Wolf, Christian; Journal of the American Chemical Society; vol. 135; nb. 48; (2013); p. 18052 - 18055, View in Reaxys

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(1S,2R)-2

Miyagawa, Toyoharu; Yamamoto, Miho; Muraki, Reiko; Onouchi, Hisanari; Yashima, Eiji; Journal of the American Chemical Society; vol. 129; nb. 12; (2007); p. 3676 - 3682, View in Reaxys

(1R,2S)-2g

Aydogan, Feray; Basarir, Mehmet; Yolacan, Cigdem; Demir, Ayhan S.; Tetrahedron; vol. 63; nb. 39; (2007); p. 9746 - 9750, View in Reaxys

(1R,2S)-5

Colman, Bob; De Sousa, Simon E.; O'Brien, Peter; Towers, Timothy D.; Watson, Will; Tetrahedron Asymmetry; vol. 10; nb. 21; (1999); p. 4175 - 4182, View in Reaxys; Amano, Sayaka; Ishida, Yasuhiro; Saigo, Kazuhiko; Chemistry - A European Journal; vol. 13; nb. 18; (2007); p. 5186 - 5196, View in Reaxys

Ma, Guoyi; Bavadekar, Supriya A.; Davis, Yolande M.; Lalchandani, Shilpa G.; Nagmani, Rangaswamy; Schaneberg, Brian T.; Khan, Ikhlas A.; Feller, Dennis R.; Journal of Pharmacology and Experimental Therapeutics; vol. 322; nb. 1; (2007); p. 214 - 221, View in Reaxys

(1R,2S)-20

Zani, Lorenzo; Eichhorn, Torsten; Bolm, Carsten; Chemistry - A European Journal; vol. 13; nb. 9; (2007); p. 2587 - 2600, View in Reaxys

Couty, Francois; Evano, Gwilherm; Menguy, Laurence; Steimetz, Vincent; Toumi, Mathieu; Tetrahedron Letters; vol. 47; nb. 28; (2006); p. 4817 - 4821, View in Reaxys

2a-(R,S)

Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys

2b-(1R,2S), (anti)

Purkarthofer, Thomas; Gruber, Karl; Gruber-Khadjawi, Mandana; Waich, Kerstin; Skranc, Wolfgang; Mink, Daniel; Griengl, Herfried; Angewandte Chemie - International Edition; vol. 45; nb. 21; (2006); p. 3454 - 3456, View in Reaxys

(-)-6

Demir, Ayhan S.; Subasi, N. Tuna; Sahin, Ertan; Tetrahedron Asymmetry; vol. 17; nb. 18; (2006); p. 2625 2631, View in Reaxys

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13'

Fecik, Robert A.; Devasthale, Pratik; Pillai, Segaran; Keschavarz-Shokri, Ali; Shen, Linus; Mitscher, Lester A.; Journal of Medicinal Chemistry; vol. 48; nb. 4; (2005); p. 1229 - 1236, View in Reaxys

Shah, Shrenik K.; Chen, Natalie; Guthikonda, Ravindra N.; Mills, Sander G.; Malkowitz, Lorraine; Springer, Martin S.; Gould, Sandra L.; DeMartino, Julie A.; Carella, Anthony; Carver, Gwen; Holmes, Karen; Schleif, William A.; Danzeisen, Renee; Hazuda, Daria; Kessler, Joseph; Lineberger, Janet; Miller, Michael; Emini, Emilio A.; MacCoss, Malcolm; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 4; (2005); p. 977 - 982, View in Reaxys

(1S,2R)-21

Tsubaki, Kazunori; Tanima, Daisuke; Nuruzzaman, Mohammad; Kusumoto, Tomokazu; Fuji, Kaoru; Kawabata, Takeo; Journal of Organic Chemistry; vol. 70; nb. 12; (2005); p. 4609 - 4616, View in Reaxys

Pierce, Michael E.; Parsons Jr., Rodney L.; Radesca, Lilian A.; Lo, Young S.; Silverman, Stuart; Moore, James R.; Islam, Qamrul; Choudhury, Anusuya; Fortunak, Joseph M. D.; Nguyen, Dieu; Luo, Chi; Morgan, Susan J.; Davis, Wayne P.; Confalone, Pat N.; Chen, Cheng-Yi; Tillyer, Richard D.; Frey, Lisa; Tan, Lushi; Xu, Feng; Zhao, Dalian; Thompson, Andrew S.; Corley, Edward G.; Grabowski, Edward J. J.; Reamer, Robert; Reider, Paul J.; Journal of Organic Chemistry; vol. 63; nb. 23; (1998); p. 8536 - 8543, View in Reaxys; Chrzanowska, Maria; Dreas, Agnieszka; Rozwadowska, Maria D.; Tetrahedron Asymmetry; vol. 15; nb. 7; (2004); p. 1113 - 1120, View in Reaxys

Bartoli, Giuseppe; Bosco, Marcella; Locatelli, Manuela; Marcantoni, Enrico; Massaccesi, Massimo; Melchiorre, Paolo; Sambri, Letizia; Synlett; nb. 10; (2004); p. 1794 - 1798, View in Reaxys

Aitken, David J.; Besson, Laure; Fournier, Francoise; Husson, Henri-Philippe; Lemoine, Pascale; Lesage, Denis; Libot, Francine; Martin, Pierre-Guy; Mellin-Morliere, Christelle; Monnier, Valerie; Tabet, Jean-Claude; Viossat, Bernard; Heterocycles; vol. 64; (2004); p. 277 - 289, View in Reaxys

from cis-4S,5R

Meririnne, Esa; Ellermaa, Satu; Kankaanpaeae, Aino; Bardy, Ali; Seppaelae, Timo; Journal of Pharmacology and Experimental Therapeutics; vol. 309; nb. 3; (2004); p. 1198 - 1205, View in Reaxys

(1R,2S)-8

Ishikawa, Masayoshi; Maeda, Katsuhiro; Yashima, Eiji; Journal of the American Chemical Society; vol. 124; nb. 25; (2002); p. 7448 - 7458, View in Reaxys; Maeda, Katsuhiro; Hatanaka, Kazuhiro; Yashima, Eiji; Mendeleev Communications; vol. 14; nb. 6; (2004); p. 231 - 233, View in Reaxys; Pastor, Stephen D.; Rodebaugh; Odorisio, Paul A.; Pugin, Benoit; Rihs, Grety; Tognic, Antonio; Helvetica Chimica Acta; vol. 74; nb. 6; (1991); p. 1175 - 1193, View in Reaxys

starting to 8

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educt to 2

Picot, Alexandre; Gabbai, Francois P; Tetrahedron Letters; vol. 43; nb. 1; (2002); p. 11 - 13, View in Reaxys

amine for 3

Gawronski, Jacek; Kolbon, Halina; Kwit, Marcin; Enantiomer; vol. 7; nb. 2-3; (2002); p. 85 - 92, View in Reaxys

aminol, 14

Lake, Fredrik; Moberg, Christina; European Journal of Organic Chemistry; nb. 18; (2002); p. 3179 - 3188, View in Reaxys

Brussee; Dofferhoff; Kruse; Van der Gen; Tetrahedron; vol. 46; nb. 5; (1990); p. 1653 - 1658, View in Reaxys; Desimoni, Giovanni; Faita, Giuseppe; Guala, Matilde; Pratelli, Carmela; Tetrahedron Asymmetry; vol. 13; nb. 15; (2002); p. 1651 - 1654, View in Reaxys

Grue-Sorensen; Spenser; Canadian Journal of Chemistry; vol. 67; nb. 6; (1989); p. 998 - 1009, View in Reaxys; Casper, David M.; Nora, George P.; Blackburn, Jennifer R.; Bentley, Jeromy T.; Taylor, Deanna C.; Hitchcock, Shawn R.; Journal of Heterocyclic Chemistry; vol. 39; nb. 4; (2002); p. 823 - 828, View in Reaxys

starting to int. to 1 Dahlenburg, Lutz; Goetz, Rainer; Journal of Organometallic Chemistry; vol. 619; nb. 1-2; (2001); p. 88 - 98, View in Reaxys educt of 37

Tempest, Paul; Ma, Vu; Kelly, Michael G.; Jones, Wyeth; Hulme, Christopher; Tetrahedron Letters; vol. 42; nb. 30; (2001); p. 4963 - 4968, View in Reaxys

educt to 5c

Cruz, Alejandro; Gayosso, Martha; Contreras, Rosalinda; Heteroatom Chemistry; vol. 12; nb. 7; (2001); p. 586 - 593, View in Reaxys

Hansen, Lydell B.; Journal of Pharmaceutical Sciences; vol. 90; nb. 7; (2001); p. 943 - 948, View in Reaxys

-NPE

Hansen, Lydell B.; Journal of Pharmaceutical Sciences; vol. 90; nb. 7; (2001); p. 943 - 948, View in Reaxys

PPA

O'Neill, Alyssa B.; Buckner, Steven A.; Brune, Michael E.; Milicic, Ivan; Daza, Anthony V.; Gauvin, Donna M.; Altenbach, Robert J.; Meyer, Michael D.; Williams, Michael; Sullivan, James P.; Brioni, Jorge D.; Life Sciences; vol. 70; nb. 2; (2001); p. 181 - 197, View in Reaxys

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(R,S)-1i

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educt to (S)-2a

Adam, Waldemar; Roschmann, Konrad Johann; Saha-Moeller, Chantu Ranjan; European Journal of Organic Chemistry; nb. 3; (2000); p. 557 - 561, View in Reaxys

(1R,2S)-9b

Fadel, Antoine; Tesson, Nicolas; Tetrahedron Asymmetry; vol. 11; nb. 9; (2000); p. 2023 - 2031, View in Reaxys

Yun, Hongying; Wu, Yangjie; Wu, Yusheng; Ding, Kuiling; Zhou, Ying; Tetrahedron Letters; vol. 41; nb. 52; (2000); p. 10263 - 10266, View in Reaxys

Yu, Han; Rothman, Richard B; Dersch, Christina M; Partilla, John S; Rice, Kenner C; Bioorganic and Medicinal Chemistry; vol. 8; nb. 12; (2000); p. 2689 - 2692, View in Reaxys

2, R1=Me, R2=Ph Agami, Claude; Couty, Francois; Evano, Gwilherm; Tetrahedron Asymmetry; vol. 11; nb. 23; (2000); p. 4639 - 4643, View in Reaxys 1 for 2c

Agami, Claude; Dechoux, Luc; Hamon, Louis; Melaimi, Mohand; Journal of Organic Chemistry; vol. 65; nb. 20; (2000); p. 6666 - 6669, View in Reaxys

(-)-NE

Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J. W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 3; (1999); p. 337 - 346, View in Reaxys

Bolm, Carsten; Chuang, Tsung-Hsun; Raabe, Gerhard; Fang, Jim-Min; Synthetic Communications; vol. 29; nb. 1; (1999); p. 43 - 51, View in Reaxys

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alcohol to 12

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13b

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8 (1R, 2S)

Pastor, Stephen D.; Rodebaugh, R. K.; Odorisio, Paul A.; Pugin, Benoit; Rihs, Grety; Togni, Antonio; Helvetica Chimica Acta; vol. 74; nb. 6; (1991); p. 1175 - 1193, View in Reaxys

Piva, Olivier; Mortezaei, Reza; Henin, Francoise; Muzart, Jacques; Pete, Jean-Pierre; Journal of the American Chemical Society; vol. 112; nb. 25; (1990); p. 9263 - 9272, View in Reaxys

(-)-4

Berrang; Lewin; Carroll; Journal of Organic Chemistry; vol. 47; nb. 13; (1982); p. 2643 - 2647, View in Reaxys

Patent-Specific Data (2) References Patent; KANEKA CORPORATION; EP1512677; (2005); (A1) English, View in Reaxys Patent; Bayer Aktiengesellschaft; EP1174431; (2002); (A2) German, View in Reaxys Druglikeness (1) 1 of 1

LogP

0.998

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

46.25

Lipinski Number

Veber Number

Related Structure (1) Related Structure References

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Zur Konfiguration der nachstehend beschriebenen Stereoisomeren vgl. die Angaben ueber die Konfiguration von Ephedrin und Pseudoephedrin. Derivative (13) Comment (Derivative)

Beilstein Handbook, View in Reaxys

Derivative

References

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Colman, Bob; De Sousa, Simon E.; O'Brien, Peter; Towers, Timothy D.; Watson, Will; Tetrahedron Asymmetry; vol. 10; nb. 21; (1999); p. 4175 - 4182, View in Reaxys

(1R,2S)-(-)-norephedrine hydrochloride

Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys

(1R,2S)-(-)-norephedrine hydrochloride

Brussee; Dofferhoff; Kruse; Van der Gen; Tetrahedron; vol. 46; nb. 5; (1990); p. 1653 1658, View in Reaxys

By formation of salt/complex with O,O-dibenzoyl-dtartaric acid. Melting point at: 196 C - 200 C. Additional data: decomposition

Berrang; Lewin; Carroll; Journal of Organic Chemistry; vol. 47; nb. 13; (1982); p. 2643 2647, View in Reaxys

(1R,2S)-(-)-norephedrine hydrochloride

Berrang; Lewin; Carroll; Journal of Organic Chemistry; vol. 47; nb. 13; (1982); p. 2643 2647, View in Reaxys

Hydrochlorid: 13C-NMR

Yamasajem Fujita; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 43,44, 46, View in Reaxys

Hydrochlorid: F: 192-193.5grad

Hassner,A.; Burke,S.S.; Tetrahedron; vol. 30; (1974); p. 2613 - 2621, View in Reaxys

L-Tartrat: C9H13NO*C4H6 O6; <α>(D): -34.6grad (in W., c = 2)

Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys

L-Tartrat: C9H13NO*C4H6 O6; B.: DL-Norephedrin, 1) Abtrennen v. D-Norephedrin-D-tartrat, 2) Abdampfrueckstand, wss. NaOH, 3) L-Weinsaeure, Me.; F: 156-160grad (aus Me.)

Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys

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D-Tartrat: C9H13NO*C4H6 O6; B.: DL-Norephedrin, D-Weinsaeure, Me.; F: 153-163grad (Me.); <α>(D): +31.8grad (in W., c = 2)

Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys

D-mandelate (mp: 171.5-172 degree ; <alpha>=-70.6 degree ); Further Data see Handbook (Solubility)

Jarowski; Hartung; Journal of Organic Chemistry; vol. 8; (1943); p. 564,566, View in Reaxys

Dg-hydrogentartrate (mp: 160 degree ); Further Data see Handbook (Preparation, Mutarotation)

Kanao; Chem. Zentralbl.; vol. 100; nb. I; (1929); p. 240, View in Reaxys; Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys; Kanao; Yakugaku Zasshi; vol. 48; (1928); p. 122; Chem. Zentralbl.; vol. 100; nb. I; (1929); p. 240, View in Reaxys; Nagai; Kanao; Justus Liebigs Annalen der Chemie; vol. 470; (1929); p. 174; Chem. Zentralbl.; vol. 99; nb. II; (1928); p. 2553, View in Reaxys

Purification (2) Purification (method) electrophoresis, succinyl-β-cyclodextrin, 50 mM borate buffer (pH 7.3)

References Schmid; Wirnsberger; Guebitz; Pharmazie; vol. 51; nb. 11; (1996); p. 852 - 854, View in Reaxys

resolution with Brown; Moudachirou; Tetrahedron; vol. 50; nb. 34; (1994); p. 10309 - 10320, View in Reaxys (S)-(-)-2-(3,4,5-trimethoxyphenylcarbamoyloxy)propionic acid Melting Point (8) 1 of 8

Melting Point [°C]

51 - 53

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 5460, View in Reaxys 2 of 8

Melting Point [°C]

51 - 53

Maeda, Katsuhiro; Hatanaka, Kazuhiro; Yashima, Eiji; Mendeleev Communications; vol. 14; nb. 6; (2004); p. 231 - 233, View in Reaxys 3 of 8

Melting Point [°C]

51.2

Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J. W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 3; (1999); p. 337 - 346, View in Reaxys 4 of 8

Melting Point [°C]

210 - 212

Chang, Chih-Jung; Fang, Jim-Min; Liao, Li-Fan; Journal of Organic Chemistry; vol. 58; nb. 7; (1993); p. 1754 1761, View in Reaxys 5 of 8

Melting Point [°C]

Wolfes; Archiv der Pharmazie (Weinheim, Germany); (1930); p. 328, View in Reaxys 6 of 8

Melting Point [°C]

Solvent (Melting Point)

H2O

Nagai; Kanao; Justus Liebigs Annalen der Chemie; vol. 470; (1929); p. 120, View in Reaxys 7 of 8

Melting Point [°C]

Solvent (Melting Point)

diethyl ether; light petroleum

Nagai; Kanao; Justus Liebigs Annalen der Chemie; vol. 470; (1929); p. 120, View in Reaxys

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8 of 8

Melting Point [°C]

50 - 52

Kanao; Yakugaku Zasshi; vol. 48; (1928); p. 122; Chem. Zentralbl.; vol. 100; nb. I; (1929); p. 240, View in Reaxys Association (MCS) (18) 1 of 18

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

methylcyclohexane

Partner (Association (MCS))

C95H34F30N8O4(4-)*2Zn(2+)

Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak; Journal of the American Chemical Society; vol. 130; nb. 6; (2008); p. 1885 - 1893, View in Reaxys 2 of 18

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

hexane

Partner (Association (MCS))

C95H34F30N8O4(4-)*2Zn(2+)

Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak; Journal of the American Chemical Society; vol. 130; nb. 6; (2008); p. 1885 - 1893, View in Reaxys 3 of 18

Description (Association Formation constant of a complex (MCS)) Solvent (Association (MCS))

hexane

Partner (Association (MCS))

C95H34F30N8O4(4-)*2Zn(2+)

Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak; Journal of the American Chemical Society; vol. 130; nb. 6; (2008); p. 1885 - 1893, View in Reaxys 4 of 18

Description (Association Formation constant of a complex (MCS)) Solvent (Association (MCS))

methylcyclohexane

Partner (Association (MCS))

C95H34F30N8O4(4-)*2Zn(2+)

Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak; Journal of the American Chemical Society; vol. 130; nb. 6; (2008); p. 1885 - 1893, View in Reaxys 5 of 18

Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))

hexane

Partner (Association (MCS))

C95H34F30N8O4(4-)*2Zn(2+)

Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak; Journal of the American Chemical Society; vol. 130; nb. 6; (2008); p. 1885 - 1893, View in Reaxys 6 of 18

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((8S,10S)-21-hydroxy-8,10-dimethyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

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Tsubaki, Kazunori; Tanima, Daisuke; Nuruzzaman, Mohammad; Kusumoto, Tomokazu; Fuji, Kaoru; Kawabata, Takeo; Journal of Organic Chemistry; vol. 70; nb. 12; (2005); p. 4609 - 4616, View in Reaxys 7 of 18

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((7S,11S)-21-hydroxy-7,11-dimethyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((5S,13S)-21-hydroxy-5,13-dimethyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((4S,14S)-21-hydroxy-4,14-dimethyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((4S,14S)-21-hydroxy-4,14-diphenyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

Description (Association UV/VIS spectrum of the complex (MCS))

9/139

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Solvent (Association (MCS))

methanol; CHCl3

Temperature (Association (MCS)) [°C]

0 - 50

Comment (Association (MCS))

Ratio of solvents: MeOH/CHCl3 9:1

Partner (Association (MCS))

3,3-Bis-((5S,13S)-21-hydroxy-5,13-diphenyl-3,6,9,12,15-pentaoxa-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-3H-isobenzofuran-1-one

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

film

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

time dependence. Object(s) of Study: in the presence of sensitizers

Partner (Association (MCS))

poly[(4-carboxyphenyl)acetylene], Mn=3.3*1E4; Monomer(s): (4-carboxyphenyl)acetylene

Maeda, Katsuhiro; Hatanaka, Kazuhiro; Yashima, Eiji; Mendeleev Communications; vol. 14; nb. 6; (2004); p. 231 - 233, View in Reaxys 13 of 18

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

methanol; acetonitrile

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: 1:9

Partner (Association (MCS))

C38H39NO10

Tsubaki, Kazunori; Tanaka, Hiroyuki; Kinoshita, Takayoshi; Fuji, Kaoru; Tetrahedron; vol. 58; nb. 9; (2002); p. 1679 - 1684, View in Reaxys 14 of 18

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

dimethylsulfoxide

Temperature (Association (MCS)) [°C]

20 - 25

Comment (Association (MCS))

time dependence

Partner (Association (MCS))

poly(4-carboxyphenyl isocyanide); Monomer(s): 4-(ethoxycarbonyl)phenyl isocyanide

Ishikawa, Masayoshi; Maeda, Katsuhiro; Yashima, Eiji; Journal of the American Chemical Society; vol. 124; nb. 25; (2002); p. 7448 - 7458, View in Reaxys 15 of 18

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

CDCl3

Temperature (Association (MCS)) [°C]

26.85

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Partner (Association (MCS))

(R)-(+)-tert-butylphenylphosphanylthioic acid

Gunderson, Karl G.; Shapiro, Michael J.; Doti, Robert A.; Skiles, Jerry W.; Tetrahedron Asymmetry; vol. 10; nb. 17; (1999); p. 3263 - 3266, View in Reaxys 16 of 18

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

ethanol

Partner (Association (MCS))

Calix[4]resorcinarene

Iwanek, Waldemar; Froehlich, Roland; Urbaniak, Mariusz; Naether, Christian; Mattay, Jochen; Tetrahedron; vol. 54; nb. 46; (1998); p. 14031 - 14040, View in Reaxys 17 of 18

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

dimethylsulfoxide

Partner (Association (MCS))

poly((4-carboxyphenyl)acetylene)

Yashima, Eiji; Matsushima, Teruyuki; Okamoto, Yoshio; Journal of the American Chemical Society; vol. 119; nb. 27; (1997); p. 6345 - 6359, View in Reaxys 18 of 18

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

dibutyl ether

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

H2O

Tsai, Ruey-Shiuan; Fan, Weizheng; El Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard; Kier, Lemont B.; Journal of the American Chemical Society; vol. 115; nb. 21; (1993); p. 9632 - 9639, View in Reaxys Chromatographic Data (7) Chromatographic Location data HPLC (High performance liquid chromatography)

Paragraph 0014

References Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys

GC (Gas chromatography)

Ademiluyi, Adedayo O.; Ogunsuyi, Opeyemi B.; Oboh, Ganiyu; NeuroToxicology; vol. 56; (2016); p. 107 - 117, View in Reaxys

LC (Liquid chromatography)

Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick; Rapid Communications in Mass Spectrometry; vol. 29; nb. 4; (2015); p. 367 - 384, View in Reaxys

HPLC (High performance liquid chromatography)

supporting information

Sehl, Torsten; Hailes, Helen C.; Ward, John M.; Wardenga, Rainer; Von Lieres, Eric; Offermann, Heike; Westphal, Robert; Pohl, Martina; Rother, Doerte; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6772 - 6775; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6904 - 6908,5, View in Reaxys; Sehl, Torsten; Hailes, Helen C.; Ward, John M.; Menyes, Ulf; Pohl, Martina; Rother, Doerte; Green Chemistry; vol. 16; nb. 6; (2014); p. 3341 - 3348, View in Reaxys

GC (Gas chroma- supporting infortography) mation

TLC (Thin layer chromatography)

Tillyer, Richard; Moore, James R.; Zhao, Dalian; Chen, Cheng-yi; Xu, Feng; Tan, Lushi; Pierce, Michael E.; Burton, Jonathan W.; Holmes, Andrew B.; , View in Reaxys

11/139

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HPLC (High performance liquid chromatography)

Tillyer, Richard; Moore, James R.; Zhao, Dalian; Chen, Cheng-yi; Xu, Feng; Tan, Lushi; Pierce, Michael E.; Burton, Jonathan W.; Holmes, Andrew B.; , View in Reaxys

Circular Dichroism (1) Location Comment (Circular Dichroism)

References

supporting information

Circular dichroism Irfanoglu, Burcin; Wolf, Christian; Chirality; vol. 26; nb. 8; (2014); p. 379 - 384, given View in Reaxys; Zhang, Jun; Gholami, Hadi; Ding, Xinliang; Chun, Minji; Vasileiou, Chrysoula; Nehira, Tatsuo; Borhan, Babak; Organic Letters; vol. 19; nb. 6; (2017); p. 1362 - 1365, View in Reaxys

Crystal Property Description (4) Colour & Other Location Properties colourless

supporting information

References Lalwani, Komal G.; Sudalai, Arumugam; Tetrahedron Letters; vol. 56; nb. 46; (2015); p. 6488 - 6490, View in Reaxys

white

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 - 5460, View in Reaxys

colorless

Patent; KANEKA CORPORATION; EP1512677; (2005); (A1) English, View in Reaxys

Tafeln

Nagai; Kanao; Justus Liebigs Annalen der Chemie; vol. 470; (1929); p. 120, View in Reaxys

Dissociation Exponent (1) 1 of 1

Type (Dissociation Exponent)

a1/apparent

Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Tayar, Nabil El; Grunewald, Gary L.; Casy, Alan F.; Journal of Chemical Research, Miniprint; nb. 8; (1993); p. 1901 - 1920, View in Reaxys Electrochemical Behaviour (2) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Protonation

pH dependence

Electrolytic dissociation / protonation equilibrium

References

Hegedues, H.; Gergely, A.; Horvath, P.; Noszal, B.; Journal of Chemical Research, Miniprint; nb. 5; (1999); p. 1331 - 1342, View in Reaxys Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Tayar, Nabil El; Grunewald, Gary L.; Casy, Alan F.; Journal of Chemical Research, Miniprint; nb. 8; (1993); p. 1901 - 1920, View in Reaxys

Enthalpy of Fusion (1) Enthalpy of FuReferences sion [Jmol-1] 15876.3

Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J. W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 3; (1999); p. 337 - 346, View in Reaxys

Further Information (2) Description (Fur- References ther Information) Further information

Yamasajem Fujita; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 43,44, 46, View in Reaxys

Further information

Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys

Liquid/Liquid Systems (MCS) (1) 1 of 1

Description (Liquid/ Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

H2O/octan-1-ol

Type (Mutarotation)

[alpha]

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Concentration (Mutarotation)

p=3.4

Solvent (Mutarotation)

ethanol

Mutarotation [deg]

-14.6

Wavelength (Mutarotation) [nm]

589

Temperature (Mutarotation) [°C]

Nagai; Kanao; Justus Liebigs Annalen der Chemie; vol. 470; (1929); p. 174; Chem. Zentralbl.; vol. 99; nb. II; (1928); p. 2553, View in Reaxys Optical Rotatory Power (9) 1 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1 g/100ml

Solvent (Optical Rotatory Power)

methanol

Optical Rotatory Power [deg]

-13.7

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

Paragraph 0014

Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 2 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1.2 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

methanol

Optical Rotatory Power [deg]

-14.5

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 5460, View in Reaxys 3 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

7.1 g/100ml

Solvent (Optical Rotatory Power)

aq. HCl

Optical Rotatory Power [deg]

-40.1

Wavelength (Optical Ro- 589 tatory Power) [nm]

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Temperature (Optical Rotatory Power) [°C]

Murphy, Patrick Joseph; Pinato, Samuela; Thomas, Dafydd; Oller-Lopez, Juan Luis; Chemical and Pharmaceutical Bulletin; vol. 54; nb. 9; (2006); p. 1331 - 1332, View in Reaxys 4 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1.0 g/100ml

Solvent (Optical Rotatory Power)

ethanol

Optical Rotatory Power [deg]

-35.3

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Ishida, Keishi; Matsuda, Hisashi; Okita, Yuji; Murakami, Masahiro; Tetrahedron; vol. 58; nb. 38; (2002); p. 7645 - 7652, View in Reaxys 5 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1 g/100ml

Solvent (Optical Rotatory Power)

CHCl3

Optical Rotatory Power [deg]

-86.4 - -32.2

Wavelength (Optical Ro- 365 - 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Biffis; Wulff; New Journal of Chemistry; vol. 25; nb. 12; (2001); p. 1537 - 1542, View in Reaxys 6 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1 g/100ml

Solvent (Optical Rotatory Power)

CHCl3

Optical Rotatory Power [deg]

-32.2

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Biffis; Wulff; New Journal of Chemistry; vol. 25; nb. 12; (2001); p. 1537 - 1542, View in Reaxys 7 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

7 g/100ml

Solvent (Optical Rotatory Power)

aq. HCl

Optical Rotatory Power [deg]

-39

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Wavelength (Optical Ro- 589 tatory Power) [nm] Brown; Moudachirou; Tetrahedron; vol. 50; nb. 34; (1994); p. 10309 - 10320, View in Reaxys 8 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

6.7 g/100ml

Solvent (Optical Rotatory Power)

H2O

Optical Rotatory Power [deg]

-31.9

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Chang, Chih-Jung; Fang, Jim-Min; Liao, Li-Fan; Journal of Organic Chemistry; vol. 58; nb. 7; (1993); p. 1754 1761, View in Reaxys 9 of 9

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1.2

Solvent (Optical Rotatory Power)

methanol

Optical Rotatory Power [deg]

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys Transition Point(s) of Liquid Modification(s) (1) Temperature Change of Modifi- References (Transition cation Point(s) of Liquid Modification(s)) [°C] 73

From other to iso- Amano, Sayaka; Ishida, Yasuhiro; Saigo, Kazuhiko; Chemistry - A European Journal; tropic vol. 13; nb. 18; (2007); p. 5186 - 5196, View in Reaxys

NMR Spectroscopy (18) 1 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Location

Paragraph 0014

Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 2 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectro- dimethyl sulfoxide scopy) Frequency (NMR Spectroscopy) [MHz]

125

Location

Paragraph 0014

Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 3 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Rossi, Sergio; Porta, Riccardo; Brenna, Davide; Puglisi, Alessandra; Benaglia, Maurizio; Angewandte Chemie - International Edition; vol. 56; nb. 15; (2017); p. 4290 - 4294; Angew. Chem.; vol. 129; nb. 15; (2017); p. 4354 4358,5, View in Reaxys 4 of 18

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

600

Location

supporting information

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

25.84

Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

16/139

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Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 5460, View in Reaxys 7 of 18

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

26.94

Frequency (NMR Spectroscopy) [MHz]

125

Location

supporting information

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 5460, View in Reaxys 8 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 5460, View in Reaxys 9 of 18

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.85

Frequency (NMR Spectroscopy) [MHz]

600

Ishida, Keishi; Matsuda, Hisashi; Okita, Yuji; Murakami, Masahiro; Tetrahedron; vol. 58; nb. 38; (2002); p. 7645 - 7652, View in Reaxys 10 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.85

Frequency (NMR Spectroscopy) [MHz]

600

Ishida, Keishi; Matsuda, Hisashi; Okita, Yuji; Murakami, Masahiro; Tetrahedron; vol. 58; nb. 38; (2002); p. 7645 - 7652, View in Reaxys 11 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

17/139

2017-11-08 16:23:22

Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

26.85

Frequency (NMR Spectroscopy) [MHz]

499.87

Gunderson, Karl G.; Shapiro, Michael J.; Doti, Robert A.; Skiles, Jerry W.; Tetrahedron Asymmetry; vol. 10; nb. 17; (1999); p. 3263 - 3266, View in Reaxys 12 of 18

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

26.85

Frequency (NMR Spectroscopy) [MHz]

499.87

Gunderson, Karl G.; Shapiro, Michael J.; Doti, Robert A.; Skiles, Jerry W.; Tetrahedron Asymmetry; vol. 10; nb. 17; (1999); p. 3263 - 3266, View in Reaxys 13 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys; Lamant; Guignard; Helvetica Chimica Acta; vol. 70; nb. 5; (1987); p. 1279 - 1285, View in Reaxys; Kreutz, Olyr C.; Moran, Paulo J. S.; Rodrigues, J. Augusto R.; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2649 - 2653, View in Reaxys 14 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys; Kreutz, Olyr C.; Moran, Paulo J. S.; Rodrigues, J. Augusto R.; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2649 - 2653, View in Reaxys 15 of 18

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

1H-1H

Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys; Lamant; Guignard; Helvetica Chimica Acta; vol. 70; nb. 5; (1987); p. 1279 - 1285, View in Reaxys; Kreutz, Olyr C.; Moran, Paulo J. S.; Rodrigues, J. Augusto R.; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2649 - 2653, View in Reaxys 16 of 18

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- D2O scopy)

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Grue-Sorensen; Spenser; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 2052 - 2054, View in Reaxys 17 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys 18 of 18

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Comment (NMR Spectroscopy)

1H-1H

Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys IR Spectroscopy (3) 1 of 3

Description (IR Spectroscopy)

Spectrum

Butz, Patrick; Kroemer, Romano T.; Macleod, Neil A.; Robertson, Evan G.; Simons, John P.; Journal of Physical Chemistry A; vol. 105; nb. 6; (2001); p. 1050 - 1056, View in Reaxys 2 of 3

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3335 - 3270 cm**(-1)

Toda, Fumio; Tanaka, Koichi; Miyamoto, Hisakazu; Koshima, Hideko; Miyahara, Ikuko; Hirotsu, Ken; Journal of the Chemical Society. Perkin Transactions 2; nb. 9; (1997); p. 1877 - 1885, View in Reaxys 3 of 3

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3500 - 1550 cm**(-1)

Lamant; Guignard; Helvetica Chimica Acta; vol. 70; nb. 5; (1987); p. 1279 - 1285, View in Reaxys Mass Spectrometry (5) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); spectrum

Paragraph 0014

liquid chromatography mass spectrometry (LCMS); electrospray ionisation (ESI); spectrum electrospray ionisation (ESI); liquid chromatogra-

References Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys

supporting information

Earla, Ravinder; Kumar, Santosh; Wang, Lei; Bosinger, Steven; Li, Junhao; Shah, Ankit; Gangwani, Mohitkumar; Nookala, Anantha; Liu, Xun; Cao, Lu; Jackson, Aus-

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phy mass spectrometry (LCMS); tandem mass spectrometry; spectrum

tin; Silverstein, Peter S.; Fox, Howard S.; Li, Weihua; Kumar, Anil; Drug Metabolism and Disposition; vol. 42; nb. 12; (2014); p. 2097 - 2108, View in Reaxys

HRMS (High resolution mass spectrometry); EI (Electron impact); Spectrum

Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 - 5460, View in Reaxys

spectrum

Lamant; Guignard; Helvetica Chimica Acta; vol. 70; nb. 5; (1987); p. 1279 - 1285, View in Reaxys

Use (1) Use Pattern

References

Decongestant for Patent; Maibach, Todd; US2007/59346; (2007); (A1) English, View in Reaxys an orally-dissolvable, edible film Isolation from Natural Product (12) Isolation from References Natural Product leaves of Khat Atlabachew, Minaleshewa; Combrinck, Sandra; Viljoen, Alvaro M.; Hamman, Josias H.; Gouws, Chris(Catha edulis na; Journal of Ethnopharmacology; vol. 194; (2016); p. 307 - 315, View in Reaxys Vahl. Endl.), collected from ZegiePeninsula(N11° 43′, E 37° 20′), Bahirdar,Ethiopia dried leaves of Atlabachew, Minaleshewa; Chandravanshi, Bhagwan Singh; Redi-Abshiro, Mesfin; Torto, Nelson; ChiCatha edulis gome, Samuel; Pule, Bellah Oreeditse; Bulletin of the Chemical Society of Ethiopia; vol. 27; nb. 3; (2013); Forsk (Khat); col- p. 347 - 358, View in Reaxys lected from Zenzelima, the Bahir Dar area, Ethiopia twigs and fresh Atlabachew, Minaleshewa; Chandravanshi, Bhagwan Singh; Redi-Abshiro, Mesfin; Torto, Nelson; Chitender leaves of gome, Samuel; Pule, Bellah Oreeditse; Bulletin of the Chemical Society of Ethiopia; vol. 27; nb. 3; (2013); Catha edulis p. 347 - 358, View in Reaxys Forsk (Khat); collected from Sebeta, Ethiopia Ma Huang (Ephe- Hansen, Lydell B.; Journal of Pharmaceutical Sciences; vol. 90; nb. 7; (2001); p. 943 - 948, View in Reaxys dra equisetine Bunge and E. sinica Stapf) products (tablets or capsules) Ephedra gerardiana sikkimensis

Grue-Sorensen; Spenser; Canadian Journal of Chemistry; vol. 67; nb. 6; (1989); p. 998 - 1009, View in Reaxys

In der chinesischen Droge Ma Huang

Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys

ueber die Stammpflanze dieser Droge, auf die sich auch die ersten Angaben ueber das Vorkommen von Ephedrrin beziehen

Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys

besteht eine gewisse Unsicherheit

Wehmer,C.; Die Pflanzenstoffe, 2.Aufl.Bd.I <Jena 1929>,S.58,59, View in Reaxys; Hagers; Handbuch der pharmazeutischen Praxis <Berlin 1925>,S.1205, View in Reaxys; Chen; Schmidt; Medicine; vol. 9; (1930); p. 8, View in Reaxys; Merck,E.; E. Merck's Jahresberichte; vol. 30; (1916); p. 49, View in Reaxys

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nach einer neue- Gilg; Schuerhoff; Archiv der Pharmazie (Weinheim, Germany); (1930); p. 233,236,239, View in Reaxys ren Untersuchung besteht Ma Chen; Journal of the American Pharmaceutical Association (1912-1977); vol. 14; (1925); p. 190, Huang aus den View in Reaxys; Gilg; Schuerhoff; Archiv der Pharmazie (Weinheim, Germany); (1930); p. 233,236,239, jungen Stengeltei- View in Reaxys len von Ephedra sinica Stapf. oder (in der Literatur faelschlich als E.equisetina Bunge bezeichneter) E. shennungiana Tang n. sp. und ist gelegentlich mit anderen Ephedra-Arten verfaelscht. Morphologische Unterscheidung einiger EphedraArten

Chen; Journal of the American Pharmaceutical Association (1912-1977); vol. 14; (1925); p. 190, View in Reaxys; Gilg; Schuerhoff; Archiv der Pharmazie (Weinheim, Germany); (1930); p. 233,236,239, View in Reaxys

Findet sich auch Wolfes; Archiv der Pharmazie (Weinheim, Germany); (1930); p. 328, View in Reaxys in suedeuropaeischer Ephedra und wurde aus Rueckstaenden der EphedrinFabrikation isoliert Medchem (308) 1 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Bioassay Details

Effect : |receptor; binding activity Target : hamster clonal α1b receptor subtypeBioassay : Ki: binding affinity mouse fibroblast cells transfected with the receptor plasmids were grown in Dulbecco's modified Eagle's medium; incubation with 200 pmol/l <3H>prazosin, title comp., tris-HCl, 25 deg C, 60 min

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

Unit

Quantitative value

9522

Measurement pX

5.02

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Bioassay Details

Effect : |receptor; binding activity Target : rat clonal α1d receptor subtypeBioassay : Ki: binding affinity mouse fibroblast cells transfected with the receptor plasmids were grown in Dulbecco's modified Eagle's medium; incubation with 200 pmol/l <3H>prazosin, title comp., tris-HCl, 25 deg C, 60 min

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

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Unit

Quantitative value

8231

Measurement pX

5.08

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Bioassay Details

Effect : |receptor; binding activity Target : rat submaxillary α1A receptor subtypeBioassay : Ki: binding affinity mouse fibroblast cells transfected with the receptor plasmids were grown in Dulbecco's modified Eagle's medium; incubation with 200 pmol/l <3H>prazosin, title comp., tris-HCl, 25 deg C, 60 min

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

Unit

Quantitative value

9755

Measurement pX

5.01

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : |agonist Bioassay : non-selective adrenoceptor α1 agonist dogs were anesthetized; urethral pressure profilometry

Biological Species/NCBI dog ID Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

100 mmol/kg

Substance Route of Adm.

intravenous administration

Qualitative Results

significant increase in urethral pressure

Measurement Parameter

Qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2207678View in Reaxys

Substance Name

1459294

Qualitative Results

activated adrenergic receptor subtypes, especially α1-adrenerg receptors, in the cardiovascular system of pithed rat, the most potenet agonist between the isomer components of (+/-)-norephedrins

Measurement Parameter

Qualitative

Moya-Huff; Maher; Journal of Pharmacy and Pharmacology; vol. 39; nb. 2; (1987); p. 108 - 112, View in Reaxys

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6 of 308

Target Name

sodium-dependent dopamine transporter [rattus norvegicus]

Target Synonyms

da transporter; dat; slc6a3; sodium-dependent dopamine transporter; solute carrier family 6 member 3

Target Uniprot ID

p23977

Target, Subunit, Species sodium-dependent dopamine transporter [rattus norvegicus] Target Mutant/Chimera Details

sodium-dependent dopamine transporter [rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Stimulator

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus; Rattus norvegicus ID

7 of 308

Organs/Tissues

Vas deferens

Substance RN

2207678View in Reaxys

Substance Name

D(-)-Norephedrine

Measurement Parameter

pEC50

Quantitative value

2.46

Measurement pX

2.46

Concomitants: Compound RN

102014

Concomitants: Compound name

Reserpine

Concomitants: Compound role

APR

Target Name

sodium-dependent dopamine transporter [rattus norvegicus]

Target Synonyms

da transporter; dat; slc6a3; sodium-dependent dopamine transporter; solute carrier family 6 member 3

Target Uniprot ID

p23977

Target, Subunit, Species sodium-dependent dopamine transporter [rattus norvegicus] Target Mutant/Chimera Details

sodium-dependent dopamine transporter [rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Stimulator

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus; Rattus norvegicus ID Organs/Tissues

Vas deferens

Substance RN

2207678View in Reaxys

Substance Name

D(-)-Norephedrine

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8 of 308

Measurement Parameter

% Max

Unit

Measurement Object

Maximal Effect

Quantitative value

Concomitants: Compound RN

102014

Concomitants: Compound name

Reserpine

Concomitants: Compound role

APR

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |agonist Target : human embryonic kidney 293 cells expressing human α1A-ARBioassay : control: untreated cells; reference compound: L-phenylephrine (EC50: 2.01 μM); AR: adrenergic receptors; TRE-LUC: phorbol ester-response element-luciferase gene cells transfected with TRE-LUC; treated with title comp. (20 h); cells lysed; luciferase activity detd. using TopCount Microplate Scintillation and luminescence counter; data normalized relative to luciferase changes of 3E-4 M L-phenylephrine

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

0.300000 mM

Qualitative Results

title comp. at 0.3 mM had little effect on human α1A-AR; title comp. gave response that was <12% of L-phenylephrine maximum; fig.

Measurement Parameter

Qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |agonist Target : Chinese hamster ovary cells expressing human α2A-ARBioassay : reference compound: medetomidine (EC50: 79.8 nM); AR: adrenergic receptors; CRE-LUC: cAMP-response element-luciferase; data normalized relative to luciferase changes of 3E-6 M forskolin cells transfected with 6 CRE-LUC; treated with title comp. and forskolin for 4 h; cells lysed; luciferase activity measured using Luclite assay kit; conc.-dependent reversal of forskolin-induced luciferase changes detd. to assess agonist activity

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

300 µM

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |agonist Target : Chinese hamster ovary cells expressing human α2C-ARBioassay : reference compound: medetomidine (EC50: 78.3 nM); AR: adrenergic receptors;

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CRE-LUC: cAMP-response element-luciferase; data normalized relative to luciferase changes of 3E-6 M forskolin cells transfected with 6 CRE-LUC; treated with title comp. and forskolin for 4 h; cells lysed; luciferase activity measured using Luclite assay kit; conc.-dependent reversal of forskolin-induced luciferase changes detd. to assess agonist activity Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

300 µM

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |antagonist Target : human embryonic kidney 293 cells expressing human α1AARBioassay : control: untreated cells; AR: adrenergic receptors; TRE-LUC: phorbol esterresponse element-luciferase gene; TMS: TopCount Microplate Scintillation and luminescence counter cells transfected with TRE-LUC; title comp. added to cells; 15 min later, Lphenylephrine added; incubated for 20 h; cells lysed; luciferase activity detd. using TMS; data normalized relative to luciferase changes of 3E-4 M L-phenylephrine

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

300 µM

Measurement Parameter

Unit

µM

Quantitative value

10.5

Measurement pX

4.98

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : Chinese hamster ovary cells expressing human α2A-ARBioassay : AR: adrenergic receptors; reference compound: medetomidine (pKi: 6.15) cells incubated with title comp. and <3H>rauwolscine for 1 h at 37 deg C in Tris-EDTA buffer; filtered; radioactivity on filter discs measured using liquid scintillation analyzer; nonspecific binding detd. in presence of 10 μM phentolamine; Ki detd.

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1.00000E-11 M

Measurement Parameter

pKi

Quantitative value

5.16

Measurement pX

5.16

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13 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : Chinese hamster ovary cells expressing human α2C-ARBioassay : AR: adrenergic receptors; reference compound: medetomidine (pKi: 7.65) cells incubated with title comp. and <3H>rauwolscine for 1 h at 37 deg C in Tris-EDTA buffer; filtered; radioactivity on filter discs measured using liquid scintillation analyzer; nonspecific binding detd. in presence of 10 μM phentolamine; Ki detd.

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1.00000E-11 M

Measurement Parameter

pKi

Quantitative value

4.96

Measurement pX

4.96

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : human embryonic kidney 293 cells expressing human α1A-ARBioassay : AR: adrenergic receptors; reference compounds: L-phenylephrine (pKi: 6.32) and oxymetazoline (pKi: 8.11) cells incubated with title comp. and <3H>prazosin for 1 h at 37 deg C in Tris-EDTA buffer; filtered; radioactivity on filter discs measured using liquid scintillation analyzer; nonspecific binding determined in presence of 10 μM phentolamine; Ki detd.

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1.00000E-11 M

Measurement Parameter

pKi

Quantitative value

5.14

Measurement pX

5.14

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |antagonist Target : Chinese hamster ovary cells expressing human α2A-ARBioassay : control: untreated cells; AR: adrenergic receptors; data normalized relative to luciferase changes of 3E-6 M forskolin; IC50: effective conc. of title comp. that reversed the inhibitory effect of medetomidine on maximum cAMP response of forskolin cells transfected with cAMP-response element-luciferase; title comp. added to cells; medetomidine added; 15 min later, forskolin added and incubated for 4 h; cells lysed; luciferase activity detd. using Luclite assay kit

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

Measurement Parameter

IC50

Unit

µM

Quantitative value

8.3

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Measurement pX

5.08

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |antagonist Target : Chinese hamster ovary cells expressing human α2C-ARBioassay : control: untreated cells; AR: adrenergic receptors; data normalized relative to luciferase changes of 3E-6 M forskolin; IC50: effective conc. of title comp. that reversed the inhibitory effect of medetomidine on maximum cAMP response of forskolin cells transfected with cAMP-response element-luciferase; title comp. added to cells; medetomidine added; 15 min later, forskolin added and incubated for 4 h; cells lysed; luciferase activity detd. using Luclite assay kit

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

Measurement Parameter

IC50

Unit

µM

Quantitative value

14.5

Measurement pX

4.84

Target Name

Solute carrier family 22 member 5 [human]

Target Synonyms

high-affinity sodium-dependent carnitine cotransporter; octn2; organic cation/carnitine transporter 2; slc22a5; solute carrier family 22 member 5

Target Uniprot ID

o76082

Target, Subunit, Species Solute carrier family 22 member 5 [human] Target Mutant/Chimera Details

Solute carrier family 22 member 5 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Substance Action on Target

Inhibitor

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux uptake

Cells/Cell Lines

BeWo

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

IC50

Unit

Quantitative value

7.1

Deviation

3.80000

Measurement pX

2.15

Concomitants: Compound RN

5357404

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18 of 308

Concomitants: Compound name

[3H]-L-Carnitine Hydrochloride

Concomitants: Compound role

SUB

Target Name

enzyme

Target Synonyms

catalytic; enzyme

Target, Subunit, Species enzyme

19 of 308

Target Mutant/Chimera Details

enzyme:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : in vitro; pH 8.5, 2 μM of substrate, 1.6 mM Triton X-100, 4 mM CaCl2 at 30 deg C

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

20 µM

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2207678View in Reaxys

Substance Name

1459294

Qualitative Results

has a weak dopamine release effect on rat striatal tissue in vitro

Measurement Parameter

Qualitative

Kalix; Geisshusler; Brenneisen; Journal of Pharmacy and Pharmacology; vol. 39; nb. 2; (1987); p. 135 - 137, View in Reaxys 20 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2207678View in Reaxys

Substance Name

1459294

Qualitative Results

effect on cardiovascular system of anesthetized rats

Measurement Parameter

Qualitative

Moya-Huff; Kiritsy; Maher; Journal of Pharmaceutical Sciences; vol. 76; nb. 2; (1987); p. 114 - 116, View in Reaxys 21 of 308

Target Name

Alpha-1D adrenergic receptor [human]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; alpha-adrenergic receptor 1a

Target Uniprot ID

p25100

Target, Subunit, Species Alpha-1D adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [human]:Wild

28/139

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22 of 308

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LM(tk-)

Cell Fraction

Homogenate/Centrifugation/Pellet

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

4.6

Measurement pX

4.6

Concomitants: Compound RN

272944; 8728926; 84272

Concomitants: Compound name

Phentolamine; [3H]-Prazosin; L-(+)-Ascorbic acid

Concomitants: Compound role

NSB; RAD; COM

Target Name

Alpha-1B adrenergic receptor [human]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

Target Uniprot ID

p35368

Target, Subunit, Species Alpha-1B adrenergic receptor [human]

23 of 308

Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LM(tk-)

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

4.3

Measurement pX

4.3

Concomitants: Compound RN

272944; 8728926; 84272

Concomitants: Compound name

Phentolamine; [3H]-Prazosin; L-(+)-Ascorbic acid

Concomitants: Compound role

NSB; RAD; COM

Target Name

Alpha-1A adrenergic receptor [human]

Target Synonyms

adra1a (alpha-1a adrenergic receptor); adra1c; alpha-1a adrenergic receptor; alpha-1a adrenoceptor; alpha-1a adrenoreceptor; alpha-1c adrenergic receptor; alpha-adrenergic receptor 1c

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Target Uniprot ID

p35348; p35348-1; p35348-2; p35348-3; p35348-4; p35348-7

Target, Subunit, Species Alpha-1A adrenergic receptor [human]

24 of 308

Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LM(tk-)

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

4.8

Measurement pX

4.8

Concomitants: Compound RN

272944; 8728926; 84272

Concomitants: Compound name

Phentolamine; [3H]-Prazosin; L-(+)-Ascorbic acid

Concomitants: Compound role

NSB; RAD; COM

Target Name

Alpha-2A adrenergic receptor [human]

Target Synonyms

adra2a; adra2r; adrar; alpha-2 adrenergic receptor subtype c10; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar

Target Uniprot ID

p08913

Target, Subunit, Species Alpha-2A adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2A adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

6.3

Measurement pX

6.3

Concomitants: Compound RN

272944; 97277

Concomitants: Compound name

Phentolamine; [3H]-Rauwolscine

30/139

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25 of 308

Concomitants: Compound role

NSB; RAD

Target Name

Alpha-2B adrenergic receptor [human]

Target Synonyms

adra2b; adra2l1; adra2rl1; alpha-2 adrenergic receptor subtype c2; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar

Target Uniprot ID

p18089

Target, Subunit, Species Alpha-2B adrenergic receptor [human]

26 of 308

Target Mutant/Chimera Details

Alpha-2B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

6.6

Measurement pX

6.6

Concomitants: Compound RN

272944; 97277

Concomitants: Compound name

Phentolamine; [3H]-Rauwolscine

Concomitants: Compound role

NSB; RAD

Target Name

Alpha-2C adrenergic receptor [human]

Target Synonyms

adra2c; adra2l2; adra2rl2; alpha-2 adrenergic receptor subtype c4; alpha-2c adrenergic receptor; alpha-2c adrenoceptor; alpha-2c adrenoreceptor; alpha-2car

Target Uniprot ID

p18825

Target, Subunit, Species Alpha-2C adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2C adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pKi

Quantitative value

5.5

31/139

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27 of 308

Measurement pX

5.5

Concomitants: Compound RN

272944; 97277

Concomitants: Compound name

Phentolamine; [3H]-Rauwolscine

Concomitants: Compound role

NSB; RAD

Target Name

Alpha-1D adrenergic receptor [human]

Target Synonyms

Target Uniprot ID

p25100

Target, Subunit, Species Alpha-1D adrenergic receptor [human]

28 of 308

Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pEC50

Quantitative value

4.8

Measurement pX

4.8

Concomitants: Compound RN

14235681; 8490481

Concomitants: Compound name

PBS; [3H]-Inositol

Concomitants: Compound role

COM; MAR

Target Name

Alpha-1B adrenergic receptor [human]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

Target Uniprot ID

p35368

Target, Subunit, Species Alpha-1B adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

32/139

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29 of 308

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pEC50

Quantitative value

4.5

Measurement pX

4.5

Concomitants: Compound RN

8490481

Concomitants: Compound name

[3H]-Inositol; Serum

Concomitants: Compound role

MAR; COM

Target Name

Alpha-1A adrenergic receptor [human]

Target Synonyms

adra1a (alpha-1a adrenergic receptor); adra1c; alpha-1a adrenergic receptor; alpha-1a adrenoceptor; alpha-1a adrenoreceptor; alpha-1c adrenergic receptor; alpha-adrenergic receptor 1c

Target Uniprot ID

p35348; p35348-1; p35348-2; p35348-3; p35348-4; p35348-7

Target, Subunit, Species Alpha-1A adrenergic receptor [human]

30 of 308

Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

pEC50

Quantitative value

4.3

Measurement pX

4.3

Concomitants: Compound RN

8490481

Concomitants: Compound name

[3H]-Inositol; Serum

Concomitants: Compound role

MAR; COM

Target Name

Alpha-2A adrenergic receptor [human]

Target Synonyms

adra2a; adra2r; adrar; alpha-2 adrenergic receptor subtype c10; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar

Target Uniprot ID

p08913

Target, Subunit, Species Alpha-2A adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2A adrenergic receptor [human]:Wild

33/139

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31 of 308

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

LM(tk-)

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

Measurement Parameter

pEC50

Quantitative value

8.1

Measurement pX

8.1

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

Concomitants: Compound role

COM; IND

Target Name

Alpha-2B adrenergic receptor [human]

Target Synonyms

adra2b; adra2l1; adra2rl1; alpha-2 adrenergic receptor subtype c2; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar

Target Uniprot ID

p18089

Target, Subunit, Species Alpha-2B adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

Measurement Parameter

pEC50

Quantitative value

6.1

Measurement pX

6.1

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

34/139

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32 of 308

Concomitants: Compound role

COM; IND

Target Name

Alpha-2C adrenergic receptor [human]

Target Synonyms

adra2c; adra2l2; adra2rl2; alpha-2 adrenergic receptor subtype c4; alpha-2c adrenergic receptor; alpha-2c adrenoceptor; alpha-2c adrenoreceptor; alpha-2car

Target Uniprot ID

p18825

Target, Subunit, Species Alpha-2C adrenergic receptor [human]

33 of 308

Target Mutant/Chimera Details

Alpha-2C adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

LM(tk-)

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

Measurement Parameter

pEC50

Quantitative value

6.9

Measurement pX

6.9

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

Concomitants: Compound role

COM; IND

Target Name

Alpha-2A adrenergic receptor [human]

Target Synonyms

adra2a; adra2r; adrar; alpha-2 adrenergic receptor subtype c10; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar

Target Uniprot ID

p08913

Target, Subunit, Species Alpha-2A adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2A adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

LM(tk-)

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

35/139

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34 of 308

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

Concomitants: Compound role

COM; IND

Target Name

Alpha-2B adrenergic receptor [human]

Target Synonyms

adra2b; adra2l1; adra2rl1; alpha-2 adrenergic receptor subtype c2; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar

Target Uniprot ID

p18089

Target, Subunit, Species Alpha-2B adrenergic receptor [human]

35 of 308

Target Mutant/Chimera Details

Alpha-2B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

Concomitants: Compound role

COM; IND

Target Name

Alpha-2C adrenergic receptor [human]

Target Synonyms

adra2c; adra2l2; adra2rl2; alpha-2 adrenergic receptor subtype c4; alpha-2c adrenergic receptor; alpha-2c adrenoceptor; alpha-2c adrenoreceptor; alpha-2car

Target Uniprot ID

p18825

Target, Subunit, Species Alpha-2C adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-2C adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

36/139

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36 of 308

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

LM(tk-)

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Substance Dose

1.00000E-05 µM

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

611922; 4300863

Concomitants: Compound name

Theophylline; Forskolin

Concomitants: Compound role

COM; IND

Target Name

Alpha-1D adrenergic receptor [human]

Target Synonyms

Target Uniprot ID

p25100

Target, Subunit, Species Alpha-1D adrenergic receptor [human]

37 of 308

Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

14235681; 8490481

Concomitants: Compound name

PBS; [3H]-Inositol

Concomitants: Compound role

COM; MAR

Target Name

Alpha-1B adrenergic receptor [human]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

37/139

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Target Uniprot ID

p35368

Target, Subunit, Species Alpha-1B adrenergic receptor [human]

38 of 308

Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

8490481

Concomitants: Compound name

[3H]-Inositol; Serum

Concomitants: Compound role

MAR; COM

Target Name

Alpha-1A adrenergic receptor [human]

Target Synonyms

adra1a (alpha-1a adrenergic receptor); adra1c; alpha-1a adrenergic receptor; alpha-1a adrenoceptor; alpha-1a adrenoreceptor; alpha-1c adrenergic receptor; alpha-adrenergic receptor 1c

Target Uniprot ID

p35348; p35348-1; p35348-2; p35348-3; p35348-4; p35348-7

Target, Subunit, Species Alpha-1A adrenergic receptor [human] Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

IP production

Cells/Cell Lines

cells

Substance RN

2207678View in Reaxys

Substance Name

(-)-Norephedrine

Measurement Parameter

IA (%)

Unit

Quantitative value

Concomitants: Compound RN

8490481

38/139

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39 of 308

Concomitants: Compound name

[3H]-Inositol; Serum

Concomitants: Compound role

MAR; COM

Target Name

Alpha 1 adrenergic receptor [dog]

Target Synonyms

alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

lung

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Measurement Parameter

Unit

µM

Quantitative value

Measurement pX

4.32

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 40 of 308

Target Name

Alpha 1 adrenergic receptor [dog]

Target Synonyms

alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

lung

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

39/139

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Substance Name

(-)-phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

116

Measurement pX

3.94

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 41 of 308

Target Name

Alpha 2 adrenergic receptor [dog]

Target Synonyms

alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

frontal cortex

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Measurement Parameter

Unit

µM

Quantitative value

0.24

Measurement pX

6.62

Concomitants: Compound RN

272944; 5963165

Concomitants: Compound name

Phentolamine; [125I]-Clonidine

Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 42 of 308

Target Name

Alpha 2 adrenergic receptor [dog]

Target Synonyms

alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

40/139

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Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

frontal cortex

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

0.31

Measurement pX

6.51

Concomitants: Compound RN

272944; 5963165

Concomitants: Compound name

Phentolamine; [125I]-Clonidine

Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 43 of 308

Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

lung

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Measurement Parameter

Unit

µM

Quantitative value

Measurement pX

4.66

Concomitants: Compound RN

987417; 424938

Concomitants: Compound name

Propranolol; [125I]-Cyanopindolol

41/139

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Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 44 of 308

Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

lung

Cell Fraction

Membrane

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.3

Concomitants: Compound RN

987417; 424938

Concomitants: Compound name

Propranolol; [125I]-Cyanopindolol

Concomitants: Compound role

NSB; RAD

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 45 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

42/139

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Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 46 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 47 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

43/139

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Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 48 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 49 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 50 of 308

Bioassay Category

In Vivo (Animal models)

44/139

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Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 51 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 52 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

45/139

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Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 53 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 54 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

46/139

2017-11-08 16:23:22

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 55 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 56 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 57 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

47/139

2017-11-08 16:23:22

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 58 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 59 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 60 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

48/139

2017-11-08 16:23:22

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 61 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

Time

Unit

minute

Measurement Object

Maximal stimulant effect (Horizontal activity)

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 62 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

% Max

Unit

Measurement Object

Depression (Horizontal activity)

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 63 of 308

Bioassay Category

In Vivo (Animal models)

49/139

2017-11-08 16:23:22

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

ID50

Unit

mg/kg

Measurement Object

Horizontal activity

Quantitative value

5.8

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 64 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

Time

Unit

minute

Measurement Object

Maximal depressor effect (Horizontal activity)

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 65 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

% Max

Measurement Object

Stimulation (Horizontal activity)

50/139

2017-11-08 16:23:22

Qualitative value

Measurement pX

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 66 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

6 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

% Inhibition

Unit

Measurement Object

Nasal airway pressure

Quantitative value

25.2

Deviation

5.60000

Statistical sgnificance (p-value)

0.05

Concomitants: Compound RN

878384; 24141036

Concomitants: Compound name

Histamine; Pentobarbital sodium

Concomitants: Compound role

IAV; ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 67 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

0.600000 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-1.4

Deviation

0.500000

Concomitants: Compound RN

24141036

51/139

2017-11-08 16:23:22

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 68 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

3 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-1.9

Deviation

0.600000

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 69 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

0.300000 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

0.1

Deviation

0.700000

Concomitants: Compound RN

24141036

52/139

2017-11-08 16:23:22

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 70 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

1.50000 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-1.4

Deviation

2.10000

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 71 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI mongrel dog ID Population State

Healthy

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Repeated men Measurement Parameter

ED10

Unit

µg/kg

Quantitative value

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

53/139

2017-11-08 16:23:22

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 72 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED10

Unit

µg/kg

Quantitative value

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 73 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

2.70000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 74 of 308

Bioassay Category

In Vivo (Animal models)

54/139

2017-11-08 16:23:22

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

1.90000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 75 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

2.20000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 76 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

55/139

2017-11-08 16:23:22

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

1.90000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 77 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

2.60000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 78 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID

56/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

1.70000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 79 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

3.40000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 80 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

57/139

2017-11-08 16:23:22

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Quantitative value

Deviation

2.10000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 81 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.200000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 82 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

58/139

2017-11-08 16:23:22

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.500000

Statistical sgnificance (p-value)

0.05

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 83 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.200000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 84 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.500000

Statistical sgnificance (p-value)

0.05

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 85 of 308

Bioassay Category

In Vivo (Animal models)

59/139

2017-11-08 16:23:22

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.200000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 86 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.500000

Statistical sgnificance (p-value)

0.05

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 87 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

60/139

2017-11-08 16:23:22

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.200000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 88 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

Biological Species/NCBI New Zealand White (rabbit) ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.500000

Statistical sgnificance (p-value)

0.05

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 89 of 308

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2207678View in Reaxys

Substance Name

(-)-phenylpropanolamine

Substance Dose

6 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

% Inhibition

Unit

Quantitative value

8.81

Deviation

2.60000

Statistical sgnificance (p-value)

0.029

61/139

2017-11-08 16:23:22

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 90 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; positive control: methylphenidate <3H>DA uptake assay; synaptosomes incubated with <3H>DA and title comp. for 15 min at 25 deg C in the presence of blocker; rapid filtration; radioactivity determined in beta counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1 nM

Qualitative Results

title comp. did not inhibit <3H>DA uptake

Measurement Parameter

Qualitative

Rothman, Richard B.; Vu, Nga; Partilla, John S.; Roth, Bryan L.; Hufeisen, Sandra J.; Compton-Toth, Beth A.; Birkes, Jon; Young, Richard; Glennon, Richard A.; Journal of Pharmacology and Experimental Therapeutics; vol. 307; nb. 1; (2003); p. 138 - 145, View in Reaxys 91 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; NE: norepinephrine; blocker: RTI-229; positive control: methylphenidate <3H>NE uptake assay; synaptosomes incubated with <3H>NE and title comp. for 10 min at 25 deg C in the presence of blocker; rapid filtration; radioactivity determined in beta counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1 nM

Qualitative Results

title comp. did not inhibit <3H>NE uptake

Measurement Parameter

Qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; 5-HT: 5-hydroxytryptamine; blockers: nomifensine, GBR12935 <3H>5-HT uptake assay; synaptosomes incubated with <3H>5-HT and title comp. for 30 min at 25 deg C in the presence of blocker; rapid filtration; radioactivity determined in beta counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

1 nM

Qualitative Results

title comp. did not inhibit <3H>5-HT uptake

62/139

2017-11-08 16:23:22

Measurement Parameter

Qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; MPP(+): 1-methyl-4-phenylpyridinium; GBR12909: DA transporter blocker substrate reversal experiment for DA release assay; synaptosomes incubated with <3H>MPP(+) with or without GBR12909 and title comp.; rapid filtration; radioactivity determined by liquid scintillation counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Substance Dose

600 nM

Qualitative Results

significant reversal of DA releasing effect of title comp. was observed, proving that title comp. acted as substrate at DA transporter (diagram)

Measurement Parameter

Qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; 5-HT: 5-hydroxytryptamine; blockers: GBR12935, nomifensine 5-HT release assay; synaptosomes incubated with 5 nmol/l <3H>5-HT for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 5 min; rapid filtration; radioactivity determined by liquid scintillation counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; MPP(+): 1-methyl-4-phenylpyridinium; blockers: desipramine, citalopram DA release assay; synaptosomes incubated with 5 nmol/l <3H>MPP(+) for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 30 min; rapid filtration; radioactivity determined by liquid scintillation counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

EC50

Unit

63/139

2017-11-08 16:23:22

Quantitative value

302

Measurement pX

6.52

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; NE: norepinephrine; MPP(+): 1-methyl-4-phenylpyridinium; blockers: GBR12935, citalopram NE release assay; synaptosomes incubated with 5 nmol/l <3H>MPP(+) for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 30 min; rapid filtration; radioactivity determined by liquid scintillation counter

Substance RN

2207678View in Reaxys

Substance Name

1459294

Measurement Parameter

EC50

Unit

Quantitative value

42.1

Measurement pX

7.38

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |agonist Target : CHO cell membranes, expressing human α2A-adrenoceptorBioassay : CHO: Chinese hamster ovary membranes incubated with 1 μmol/l GDP, 0.05 nmol/l <35S>GTPγS and title comp. at 30 deg C for 60 min; rapid filtration, scintillation counting

Substance RN

2207678View in Reaxys

Substance Name

1459294

Qualitative Results

title comp. stimulated <35S>GTPγS binding less than 2-fold, acting as weak agonist

Measurement Parameter

Qualitative

Leppik, Ray A.; Birdsall, Nigel J. M.; Molecular Pharmacology; vol. 58; nb. 5; (2000); p. 1091 - 1099, View in Reaxys 98 of 308

Target Name

Alpha-1B adrenergic receptor [hamster]

Target Synonyms

alpha-1b adrenergic receptor

Target, Subunit, Species Alpha-1B adrenergic receptor [hamster] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [hamster]:Wild

Target Species (Bioactivity)

hamster

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Selectivity is the ratio of binding affinity of the compound towards cloned hamster Alpha-1B adrenergic receptor to that of submaxillary gland Alpha-1 adrenergic receptor

Biological Species/NCBI hamster ID Substance RN

2207678View in Reaxys

64/139

2017-11-08 16:23:22

Measurement Parameter

Qualitative

Qualitative value

Not Published

Altenbach, Robert J.; Khilevich, Albert; Meyer, Michael D.; Buckner, Steven A.; Milicic, Ivan; Daza, Anthony V.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Cain, John C.; Nakane, Masaki; Holladay, Mark W.; Williams, Michael; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 45; nb. 20; (2002); p. 4395 - 4397, View in Reaxys 99 of 308

Target Name

Alpha-1B adrenergic receptor [hamster]

Target Synonyms

alpha-1b adrenergic receptor

Target, Subunit, Species Alpha-1B adrenergic receptor [hamster] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [hamster]:Wild

Target Species (Bioactivity)

hamster

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards cloned hamster Alpha-1B adrenergic receptor

Biological Species/NCBI hamster ID Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

µM

Qualitative value

Quantitative value

9.6

Measurement pX

5.02

In Vitro (Efficacy) Uroselectivity defined as the ratio of MAP ED20 to IUP ED5 (MAP/IUP ratio)

Biological Species/NCBI dog ID Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Measurement Object

Uroselectivity

Quantitative value

0.4

Alpha-1D adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42

Target Uniprot ID

p23944

Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus]

65/139

2017-11-08 16:23:22

Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards cloned rat Alpha-1D adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

µM

Qualitative value

Quantitative value

8.4

Measurement pX

5.08

Alpha-1A adrenergic receptor [rabbit] alpha-1a adrenergic receptor

Target, Subunit, Species Alpha-1A adrenergic receptor [rabbit] Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [rabbit]:Wild

Target Species (Bioactivity)

rabbit

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent efficacy of the compound towards rabbit urethra Alpha-1A adrenergic receptor relative to phenylephrine

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Efficacy

Qualitative value

Quantitative value

In Vitro (Efficacy) Effective dose of the compound for 20 mmHg increase in mean arterial pressure (MAP) in isoflurane-anesthetized female beagles

Biological Species/NCBI dog ID

66/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Measurement Parameter

ED20

Unit

nM/kg

Measurement Object

Mean arterial pressure (MAP) in isoflurane-anesthetized female beagles

Qualitative value

Quantitative value

330

Deviation

Alpha-1B adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

Target Uniprot ID

p15823

Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro effective concentration of the compound towards rat spleen Alpha-1B adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

spleen cell

Substance RN

2207678View in Reaxys

Measurement Parameter

EC50

Unit

µM

Qualitative value

Quantitative value

280

Deviation

Measurement pX

3.55

Alpha-1D adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42

Target Uniprot ID

p23944

Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

67/139

2017-11-08 16:23:22

Bioassay Details

In vitro effective concentration of the compound towards rat aorta Alpha-1D adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

Aortic cell

Substance RN

2207678View in Reaxys

Measurement Parameter

EC50

Unit

µM

Qualitative value

Quantitative value

Deviation

Measurement pX

4.24

Alpha-1A adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1a adrenergic receptor); adra1c; alpha-1a adrenergic receptor; alpha-1a adrenoceptor; alpha-1a adrenoreceptor; alpha-1c adrenergic receptor

Target Uniprot ID

p43140

Target, Subunit, Species Alpha-1A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards rat submaxillary gland Alpha-1A adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Gland: submandibular

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

µM

Qualitative value

Quantitative value

9.8

Measurement pX

5.01

Alpha-1D adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42

Target Uniprot ID

p23944

68/139

2017-11-08 16:23:22

Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Selectivity of the compound towards rat aorta Alpha-1D adrenergic receptor over rabbit urethra Alpha-1A adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

Aortic cell

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Qualitative value

Not Published

Alpha-1B adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

Target Uniprot ID

p15823

Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent efficacy of the compound towards rat spleen Alpha-1B adrenergic receptor relative to phenylephrine

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

spleen cell

Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Efficacy

Qualitative value

Quantitative value

Alpha-1A adrenergic receptor [rabbit] alpha-1a adrenergic receptor

Target, Subunit, Species Alpha-1A adrenergic receptor [rabbit] Target Mutant/Chimera Details

Alpha-1A adrenergic receptor [rabbit]:Wild

69/139

2017-11-08 16:23:22

Target Species (Bioactivity)

rabbit

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro effective concentration of the compound towards rabbit urethra Alpha-1A adrenergic receptor

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2207678View in Reaxys

Measurement Parameter

EC50

Unit

µM

Qualitative value

Quantitative value

230

Deviation

Measurement pX

3.64

Target Name

Alpha-1D adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42

Target Uniprot ID

p23944

Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent efficacy of the compound towards rat aorta Alpha-1D adrenergic receptor relative to phenylephrine

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

Aortic cell

Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Efficacy

Qualitative value

Quantitative value

Target Name

Alpha-1B adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor

70/139

2017-11-08 16:23:22

Target Uniprot ID

p15823

Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Selectivity of the compound towards rat spleen Alpha-1B adrenergic receptor over rabbit urethra Alpha-1A adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines

spleen cell

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Selectivity

Qualitative value

Not Published

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective dose of the compound for 5 mmHg increase in intraurethral pressure (IUP) in isoflurane-anesthetized female beagles

Biological Species/NCBI dog ID Substance RN

2207678View in Reaxys

Measurement Parameter

ED5

Unit

nM/kg

Measurement Object

5 mmHg increase in intraurethral pressure (IUP) in isoflurane-anesthetized female beagles

Qualitative value

Quantitative value

1100

Deviation

400

Target Name

Alpha-1D adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42

Target Uniprot ID

p23944

Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details

Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

71/139

2017-11-08 16:23:22

Bioassay Details

Selectivity is the ratio of binding affinity of the compound towards cloned rat Alpha-1D adrenergic receptor to that of rat submaxillary gland Alpha-1 adrenergic receptor

Biological Species/NCBI Rattus norvegicus ID Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Qualitative value

Not Published

Target Name

Phenylethanolamine N-methyltransferase [taurine cattle]

Target Synonyms

noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase

Target Uniprot ID

p10938

Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details

Phenylethanolamine N-methyltransferase [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis menton constant of compound towards bovine adrenal Phenylethanolamine NMethyltransferase

Biological Species/NCBI taurine cattle ID

115 of 308

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

µM

Qualitative value

Quantitative value

1310

Deviation

214

Measurement pX

2.88

Target Name

Phenylethanolamine N-methyltransferase [taurine cattle]

Target Synonyms

noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase

Target Uniprot ID

p10938

Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details

Phenylethanolamine N-methyltransferase [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio between in vitro maximum velocity of compound towards adrenal Phenylethanolamine N-Methyltransferase of bovine to that of Km of compound

Biological Species/NCBI taurine cattle ID Substance RN

2207678View in Reaxys

72/139

2017-11-08 16:23:22

116 of 308

Measurement Parameter

Ratio

Quantitative value

0.01

Target Name

Phenylethanolamine N-methyltransferase [taurine cattle]

Target Synonyms

noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase

Target Uniprot ID

p10938

Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details

Phenylethanolamine N-methyltransferase [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Maximum velocity of the compound towards bovine adrenal Phenylethanolamine N-Methyltransferase

Biological Species/NCBI taurine cattle ID

117 of 308

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Vmax

Target Name

sodium-dependent dopamine transporter [rattus norvegicus]

Target Synonyms

da transporter; dat; slc6a3; sodium-dependent dopamine transporter; solute carrier family 6 member 3

Target Uniprot ID

p23977

Target, Subunit, Species sodium-dependent dopamine transporter [rattus norvegicus] Target Mutant/Chimera Details

sodium-dependent dopamine transporter [rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective concentration of the compound required for release of Norepinephrine transporter from rat brain synaptosomes using [3H]MPP+ as radioligand

Biological Species/NCBI Rattus norvegicus ID Substance RN

2207678View in Reaxys

Measurement Parameter

EC50

Unit

Measurement Object

Release of Norepinephrine transporter from rat brain synaptosomes

Qualitative value

Quantitative value

42.1

Deviation

4.3

Measurement pX

7.38

Concomitants: Compound name

[3H]MPP

Concomitants: Compound role

RAD

73/139

2017-11-08 16:23:22

118 of 308

Target Name

Sodium-dependent dopamine transporter [Rattus norvegicus]

Target Synonyms

da transporter; dat; slc6a3; sodium-dependent dopamine transporter; solute carrier family 6 member 3

Target Uniprot ID

p23977

Target, Subunit, Species Sodium-dependent dopamine transporter [Rattus norvegicus] Target Mutant/Chimera Details

Sodium-dependent dopamine transporter [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective concentration of the compound required for release of Dopamine transporter from rat brain synaptosomes using [3H]MPP+ as radioligand

Biological Species/NCBI Rattus norvegicus ID

119 of 308

Substance RN

2207678View in Reaxys

Measurement Parameter

EC50

Unit

Measurement Object

Eelease of Dopamine transporter from rat brain synaptosomes

Qualitative value

Quantitative value

302

Deviation

Measurement pX

6.52

Concomitants: Compound name

[3H]MPP

Concomitants: Compound role

RAD

Target Name

Sodium-dependent serotonin transporter [Rattus norvegicus]

Target Synonyms

5ht transporter; 5htt; slc6a4; sodium-dependent serotonin transporter; solute carrier family 6 member 4

Target Uniprot ID

p31652

Target, Subunit, Species Sodium-dependent serotonin transporter [Rattus norvegicus] Target Mutant/Chimera Details

Sodium-dependent serotonin transporter [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective concentration of the compound required for release of Serotonin transporter from rat brain synaptosomes; Inactive

Biological Species/NCBI Rattus norvegicus ID Substance RN

2207678View in Reaxys

Qualitative Results

Inactive

Measurement Parameter

EC50

Measurement Object

Effective concentration

Qualitative value

Measurement pX

74/139

2017-11-08 16:23:22

120 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 1 hour before treatment of compound at a dose of 2; untreated eye = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 121 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye half hour after treatment of compound at a dose of 2; untreated eye = 19 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 122 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 5 hours after treatment of compound at a dose of 2; untreated eye = 19 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 123 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 1 hour before treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

75/139

2017-11-08 16:23:22

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 124 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (low affinity) of the compound towards dog alpha-2 adrenergic receptor using p-125iodoclonidine as radioligand incubated for 120 min at 25 degree C determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.87

Measurement pX

9.06

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 125 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye half hour before treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 126 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of high affinity binding sites of dog alpha-2 adrenergic receptor determined by Scatchard analysis

76/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

BMAX1

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 127 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 1 hour before treatment of compound at a dose of 1; untreated eye = 23 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 128 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye half hour before treatment of compound at a dose of 1; untreated eye = 21 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 129 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 3 hours after treatment of compound at a dose of 2; untreated eye = 22 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 130 of 308 Bioassay Category

In Vitro (Efficacy)

77/139

2017-11-08 16:23:22

Bioassay Details

Mydriatic response in rabbit eye after treatment of compound at a dose of 1; Range = 2-4 mm change, untreated eye = 0-2 mm change

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Mydriatic response

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 131 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 1 hour after treatment of compound at a dose of 1; untreated eye = 25 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 132 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 3 hours after treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 133 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 5 hours after treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

78/139

2017-11-08 16:23:22

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 134 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 3 hours after treatment of compound at a dose of 1; untreated eye = 25 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 135 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye half hour after treatment of compound at a dose of 1; untreated eye = 27 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 136 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 1 hour after treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 137 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog]

79/139

2017-11-08 16:23:22

Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of low affinity binding sites of dog alpha-2 adrenergic receptor determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

BMAX2

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 138 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Mydriatic response in rabbit eye after treatment of compound at a dose of 2; Range = 2-4 mm change, untreated eye = 0

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Mydriatic response

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 139 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye half hour before treatment of compound at a dose of 2; untreated eye = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 140 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 1 hour after treatment of compound at a dose of 2; untreated eye = 20 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

80/139

2017-11-08 16:23:22

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 141 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye half hour after treatment of compound at a dose of 2; untreated eye = 5 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 142 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of high affinity binding sites of dog alpha-2 adrenergic receptor determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

BMAX1

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 143 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (low affinity) of the compound towards dog alpha-2 adrenergic receptor using p-iodoclonidine as radioligand incubated for 120 min at 25 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

81/139

2017-11-08 16:23:22

Unit

Qualitative value

Quantitative value

3.01

Measurement pX

8.52

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 144 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against dog alpha-2 adrenergic receptor using 44-45 pM p-125iodoclonidine as radioligand incubated for 120 min at 25 degree C

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 145 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (high affinity) of the compound towards dog alpha-2 adrenergic receptor using p-125iodoclonidine as radioligand incubated for 120 min at 25 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.15

Measurement pX

9.82

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 146 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

82/139

2017-11-08 16:23:22

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of low affinity binding sites of dog alpha-2 adrenergic receptor determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

BMAX2

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 147 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.15

Measurement pX

9.82

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 148 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against dog alpha-1 adrenergic receptor using 77.9 Ci/mmol [3H]Prazosin as radioligand incubated in 50 mM TRIS-HCl for 60 min at 25 degree C

Substance RN

2207678View in Reaxys

83/139

2017-11-08 16:23:22

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 149 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of Binding affinity towards alpha-1 adrenergic receptor to that of beta-2 adrenergic receptor

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Ki ratio

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 150 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of Binding affinity towards alpha-1 adrenergic receptor to that of alpha-2 adrenergic receptor

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Ki ratio

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 151 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

84/139

2017-11-08 16:23:22

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of Binding affinity towards beta-2 adrenergic receptor to that of alpha-2 adrenergic receptor

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Ki ratio

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 152 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound against dog beta-2 adrenergic receptor using 2200Ci/ mmol [125I]CYP as radioligand incubated for 110 min at 30 degree C

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 153 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (summary) of dog beta-2 adrenergic receptor determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

85/139

2017-11-08 16:23:22

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 154 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (summary) of dog beta-2 adrenergic receptor determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 155 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound against dog alpha-1 adrenergic receptor using 77.9 Ci/ mmol [3H]Prazosin as radioligand incubated in 50 mM TRIS-HCl for 60 min at 25 degree C

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 156 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

86/139

2017-11-08 16:23:22

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (run 1) of dog beta-2 adrenergic receptor determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 157 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (run 1) of dog beta-2 adrenergic receptor determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 158 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (run 2) of the compound towards dog beta-2 adrenergic receptor using 125ICYP as radioligand incubated for 110 min at 30 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

9.3

Measurement pX

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 159 of 308 Target Name

Beta-2 adrenergic receptor [dog]

87/139

2017-11-08 16:23:22

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (summary) of the compound towards dog beta-2 adrenergic receptor using 125ICYP as radioligand incubated for 110 min at 30 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

9.5

Measurement pX

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 160 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

8.9

Measurement pX

11.1

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 161 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

88/139

2017-11-08 16:23:22

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (run 1) of the compound towards dog beta-2 adrenergic receptor using 125ICYP as radioligand incubated for 110 min at 30 degree C determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

9.9

Measurement pX

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 162 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (run 2) of dog beta-2 adrenergic receptor determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 163 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites (run 2) of dog beta-2 adrenergic receptor determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 164 of 308 Target Name

Beta-2 adrenergic receptor [dog]

89/139

2017-11-08 16:23:22

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against dog beta-2 adrenergic receptor using 2200Ci/mmol 125ICYP as radioligand incubated for 110 min at 30 degree C

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 165 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant (run 1) of the compound towards dog beta-2 adrenergic receptor using 125ICYPas radioligand incubated for 110 min at 30 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

9.6

Measurement pX

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 166 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites of dog alpha-1 adrenergic receptor determined by saturation analysis

90/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 167 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

7.8

Measurement pX

11.1

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 168 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 1 hour before treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 169 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 5 hours after treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID

91/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 170 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Number of binding sites of dog alpha-1 adrenergic receptor determined by Scatchard analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Bmax

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 171 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 1 hour after treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 172 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye 3 hours after treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

92/139

2017-11-08 16:23:22

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 173 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Apparent equilibrium dissociation constant of the compound towards dog alpha-1 adrenergic receptor using 3H-Prazocin as radioligand incubated for 60 min at 25 degree C determined by saturation analysis

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.73

Measurement pX

9.14

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 174 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye half hour after treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 175 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Pupil diameter of rabbit eye half hour before treatment of compound at a dose of 1; untreated eye = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

93/139

2017-11-08 16:23:22

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 176 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Intraocular pressure in rabbit eye 5 hours after treatment of compound at a dose of 1; untreated eye = 22 mmHg

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Intraocular pressure

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 177 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Substance RN

2207678View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

0.84

Measurement pX

9.08

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 178 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound against dog alpha-2 adrenergic receptor using 44-45 pM p-125iodoclonidine as radioligand incubated for 120 min at 25 degree C

Substance RN

2207678View in Reaxys

94/139

2017-11-08 16:23:22

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 179 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 25) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 180 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 181 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 182 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

95/139

2017-11-08 16:23:22

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound towards 77.9 Ci/mmol 3H-Prazocin binding to Canine Alpha-1adrenergic receptor expressed in lung membrane upon incubation in 50 mM Tris-HCl, pH 7.4 for 60 min at 25 degree C

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Qualitative Results

Ki is IC50/(1+I/Kd)

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 183 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 6) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 184 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Cells/Cell Lines

lung membranes

96/139

2017-11-08 16:23:22

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

116

Measurement pX

6.94

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 185 of 308 Target Name Target Synonyms

Alpha 1 adrenergic receptor [dog] alpha 1 adrenergic receptor

Target, Subunit, Species Alpha 1 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 1 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

1464

Measurement pX

5.84

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 186 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition against 125IODOCYANOPINDOLOL radioligand binding to Canine Beta-2 adrenergic receptor expressed in lung membrane upon incubation for 110 min at 30 Degree C

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

97/139

2017-11-08 16:23:22

Measurement Parameter

Ratio

Qualitative value

Quantitative value

2.18

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 187 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition against 125IODOCYANOPINDOLOL radioligand binding to Canine Beta-2 adrenergic receptor expressed in lung membrane upon incubation for 110 min at 30 Degree C

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Qualitative value

Quantitative value

2.85

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 188 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition against 125IODOCYANOPINDOLOL radioligand binding to Canine Beta-2 adrenergic receptor expressed in lung membrane upon incubation for 110 min at 30 Degree C

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Qualitative value

Quantitative value

200

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys

98/139

2017-11-08 16:23:22

189 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition against 125IODOCYANOPINDOLOL radioligand binding to Canine Beta-2 adrenergic receptor expressed in lung membrane upon incubation for 110 min at 30 Degree C

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 190 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 191 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys

99/139

2017-11-08 16:23:22

192 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 193 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 17) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 194 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 17) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 195 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

100/139

2017-11-08 16:23:22

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the cmpound against 125iodoclonidine radioligand binding to Canine Alpha-2 adrenergic receptor expressed in brain membrane upon incubation for 120 min at 25 degree C

Cells/Cell Lines

brain membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

Measurement pX

7.82

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 196 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the cmpound against 125iodoclonidine radioligand binding to Canine Alpha-2 adrenergic receptor expressed in brain membrane upon incubation for 120 min at 25 degree C

Cells/Cell Lines

brain membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

0.31

Measurement pX

9.51

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 197 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

101/139

2017-11-08 16:23:22

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 198 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 199 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 21) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 200 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 201 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 3 hour post-treatment

102/139

2017-11-08 16:23:22

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 202 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 203 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 204 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

103/139

2017-11-08 16:23:22

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 205 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of binding affinity against dog Beta-2 adrenergic receptor to that of Alpha-2 adrenergic receptor

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Qualitative value

Quantitative value

17.92

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 206 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of binding affinity against dog Beta-2 adrenergic receptor to that of Alpha-2 adrenergic receptor

Cells/Cell Lines

lung membranes

Substance RN

2207678View in Reaxys

Measurement Parameter

Ratio

Qualitative value

Quantitative value

91.67

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 207 of 308 Target Name Target Synonyms

Alpha 2 adrenergic receptor [dog] alpha 2 adrenergic receptor

104/139

2017-11-08 16:23:22

Target, Subunit, Species Alpha 2 adrenergic receptor [dog] Target Mutant/Chimera Details

Alpha 2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Inhibitor

Substance Effect

inhibitory activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the cmpound against 125iodoclonidine radioligand binding to Canine Alpha-2 adrenergic receptor expressed in brain membrane upon incubation for 120 min at 25 degree C

Cells/Cell Lines

brain membranes

Substance RN

2207678View in Reaxys

Qualitative Results

Ki is IC50/(1+I/Kd)

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 208 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of binding affinity against dog Alpha-1adrenergic receptor to that of Alpha-2 adrenergic receptor

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

486

Measurement pX

6.31

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 209 of 308 Target Name

Beta-2 adrenergic receptor [dog]

Target Synonyms

adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor

Target Uniprot ID

p54833

Target, Subunit, Species Beta-2 adrenergic receptor [dog]

105/139

2017-11-08 16:23:22

Target Mutant/Chimera Details

Beta-2 adrenergic receptor [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Substance Effect

binding activity

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of binding affinity against dog Alpha-1adrenergic receptor to that of Alpha-2 adrenergic receptor

Substance RN

2207678View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

Measurement pX

7.3

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 210 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 211 of 308

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 22) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 212 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 22) at 5 hour post-treatment

106/139

2017-11-08 16:23:22

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 213 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 7) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 214 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 215 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 19) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

107/139

2017-11-08 16:23:22

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 216 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 19) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 217 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 218 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter =7) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 219 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 15) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

108/139

2017-11-08 16:23:22

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 220 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 15) at 5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 221 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter =7) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 222 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 22) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys

109/139

2017-11-08 16:23:22

223 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 23) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 224 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 23) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 225 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 23) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 226 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 17) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

110/139

2017-11-08 16:23:22

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 227 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 17) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 228 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 20) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 229 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 20) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 230 of 308 Bioassay Category

In Vitro (Efficacy)

111/139

2017-11-08 16:23:22

Bioassay Details

Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 22) at 1 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 231 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 21) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 232 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 21) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 233 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter =7) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

112/139

2017-11-08 16:23:22

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 234 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter =7) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 235 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 236 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 5) at 3 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 237 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 25) at 1 hour post-treatment

113/139

2017-11-08 16:23:22

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 238 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 27) at 0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 239 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (1 ) on intraocular pressure in treated rabbit eye (Untreated eye IOP = 21) at -0.5 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

IOP

Qualitative value

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 240 of 308 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect of the compound (2 ) on pupil diameter in treated rabbit eye (Untreated eye Pupil diameter = 6) at -1.0 hour post-treatment

Biological Species/NCBI rabbit ID Substance RN

2207678View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

114/139

2017-11-08 16:23:22

Quantitative value

Patent; Anthony Booth; James L. Caffrey; US6664424; (B2); (2003), View in Reaxys 241 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 242 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Measurement Object

Tyr 705 phosphorylation

Qualitative value

Active

Statistical sgnificance (Qualitative)

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 243 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Decrease

Qualitative value

Active

115/139

2017-11-08 16:23:22

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 244 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 245 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 246 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 247 of 308 Bioassay Category

In Vivo (Animal models)

116/139

2017-11-08 16:23:22

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 248 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Decrease

Qualitative value

Not active

Measurement pX

Concomitants: Compound RN

2938704

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 249 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men

117/139

2017-11-08 16:23:22

Measurement Parameter

% Increase

Qualitative value

Not active

Measurement pX

Concomitants: Compound RN

2938704

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 250 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Not active

Measurement pX

Concomitants: Compound RN

2938704

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 251 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Not active

118/139

2017-11-08 16:23:22

Measurement pX

Concomitants: Compound RN

2938704

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 252 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Not active

Measurement pX

Concomitants: Compound RN

2938704

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 253 of 308 Substance Effect Bioassay Category

Anorectic In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Not active

Measurement pX

Concomitants: Compound RN

2938704

119/139

2017-11-08 16:23:22

Concomitants: Compound name

α-methyl-para-tyrosine

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 254 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Decrease

Unit

Measurement Object

mRNA

Quantitative value

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 255 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 256 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

120/139

2017-11-08 16:23:22

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 257 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 258 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 259 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

121/139

2017-11-08 16:23:22

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 260 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

mRNA

Quantitative value

200 - 350

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 261 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Unit

Measurement Object

SOD-1 immunoreactive particles

Quantitative value

200

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 262 of 308 Bioassay Category

In Vivo (Animal models)

122/139

2017-11-08 16:23:22

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

2 mg/kg

Measurement Parameter

% Increase

Measurement Object

SOD-1 immunoreactive particles

Qualitative value

Active

Statistical sgnificance (Qualitative)

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 263 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Qualitative value

Active

Statistical sgnificance (Qualitative)

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 264 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

123/139

2017-11-08 16:23:22

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 265 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 266 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

124/139

2017-11-08 16:23:22

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 267 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 268 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

125/139

2017-11-08 16:23:22

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 269 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Change

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 270 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

29258556

126/139

2017-11-08 16:23:22

Concomitants: Compound name

5′-GCCAGGAACTGCCGCAGC-3′

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 271 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

Amount

Unit

Measurement Object

mRNA

Quantitative value

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

8162962

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 272 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

Amount

Unit

Measurement Object

mRNA

Quantitative value

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

8162962

127/139

2017-11-08 16:23:22

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 273 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

Amount

Unit

Measurement Object

mRNA

Quantitative value

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

8162962

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 274 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

8162962

128/139

2017-11-08 16:23:22

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 275 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

8162962

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 276 of 308 Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI Wistar rat ID Substance RN

2207678View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

110 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Repeated men Measurement Parameter

% Increase

Measurement Object

mRNA

Qualitative value

Not active

Statistical sgnificance (Qualitative)

Measurement pX

Concomitants: Compound RN

8162962

129/139

2017-11-08 16:23:22

Concomitants: Compound name

glutathione ethyl ester

Concomitants: Compound role

COM

Kuo, Dong-Yih; Chen, Pei-Ni; Hsieh, Yih-Shou; Archives of Toxicology; vol. 89; nb. 1; (2015); p. 87 - 100, View in Reaxys 277 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.51

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys 278 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.86

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.17

Necroptosis

130/139

2017-11-08 16:23:22

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.54

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.67

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.39

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

131/139

2017-11-08 16:23:22

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.21

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.03

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.34

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.13

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys

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2017-11-08 16:23:22

287 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.67

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

3.34

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.47

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

133/139

2017-11-08 16:23:22

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.85

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.14

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

5.57

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.05

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys

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2017-11-08 16:23:22

294 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.42

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.31

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.75

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

135/139

2017-11-08 16:23:22

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

4.87

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

3.7

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

4.84

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys 300 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.66

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys

136/139

2017-11-08 16:23:22

301 of 308 Substance Effect

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.33

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.49

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.27

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

137/139

2017-11-08 16:23:22

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.14

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

2.37

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

of mRNA level

Quantitative value

1.02

Necroptosis

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

Fold-increase

Unit

no unit

Measurement Object

accumulation

Qualitative value

Quantitative value

138/139

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Cell Death

Bioassay Category

Toxicity/Safety Pharmacology

Cells/Cell Lines

SH-SY5Y

Substance RN

2207678View in Reaxys

Substance Name

L-norephedrine

Substance Dose

3 mM

Measurement Parameter

% Decrease

Unit

Measurement Object

Cell viability

Quantitative value

20 - 30

Funakoshi, Takeshi; Aki, Toshihiko; Tajiri, Masateru; Unuma, Kana; Uemura, Koichi; Journal of Biological Chemistry; vol. 291; nb. 48; (2016); p. 25050 - 25065, View in Reaxys

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2017-11-08 16:23:22