[3] (1S,2R)-(+)-Norephedrine [C9H13NO] [CAS 37577-28-9; InChIKey DLNKOYKMWOXYQA-VXNVDRBHSA-N; by Asch

Query Query

H 2N

1. Query

Results

Date

1 substances in Reaxys

2017-11-08 16h:31m:49s (EST)

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

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Reaxys ID 2802896 View in Reaxys

NH 2

1/1 CAS Registry Number: 37577-28-9 Chemical Name: (1S,2R)-(+)-norphedrine; (+)-Norephedrine; Norephedrine; erythro-α-(1-aminoethyl)benzyl alcohol; (1S, 2R)-1-hydroxy-1-phenylpropan-2-ylamine; (1S,2R)-(+)-2-amino-1-phenyl-1-propanol; (1S,2R)-(+)-1-phenyl-2-aminopropanol-1 Linear Structure Formula: H2NCH(CH3)CH(C6H5)OH Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: DLNKOYKMWOXYQA-VXNVDRBHSA-N Note:

Substance Label (63) Label References (1S,2R)-15

Wang, Chao; Anbaei, Parastoo; Pu, Lin; Chemistry - A European Journal; vol. 22; nb. 21; (2016); p. 7255 7261, View in Reaxys; Pilicer, Samantha L.; Bakhshi, Pegah R.; Bentley, Keith W.; Wolf, Christian; Journal of the American Chemical Society; vol. 139; nb. 5; (2017); p. 1758 - 1761, View in Reaxys

Gao, Jinhai; Rajan, Srinivasan; Wang, Bing; Magnetic Resonance in Chemistry; vol. 55; nb. 4; (2017); p. 269 - 273, View in Reaxys

14R

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

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

204a

Patent; HANGZHOU DAC BIOTECH COMPANY LIMITED; ZHAO, R. YONGXIN; ZHANG, YUE; MA, YOURANG; (169 pag.); JP2017/160205; (2017); (A) Japanese, 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; Easwaramoorthi; Rajendran, A. Jeya; Rao, K. Chennakesava; Arun; Balachandran; Perumal; Emi, Nobuhiko; Mahalingam; Duraipandiyan; Al-Dhabi; RSC Advances; vol. 5; nb. 127; (2015); p. 105266 - 105278, View in Reaxys

2a'

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

(1S,2R)-9

Irfanoglu, Burcin; Wolf, Christian; Chirality; vol. 26; nb. 8; (2014); p. 379 - 384, View in Reaxys

(1S,2R)-12

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

Kurosu; Lorca; Journal of Organic Chemistry; vol. 66; nb. 4; (2001); p. 1205 - 1209, View in Reaxys; Bica, Katharina; Leder, Sonja; Mereiter, Kurt; Gaertner, Peter; Monatshefte fur Chemie; vol. 144; nb. 4; (2013); p. 447 - 453, View in Reaxys

Krelaus, Ralf; Westermann, Bernhard; Tetrahedron Letters; vol. 45; nb. 31; (2004); p. 5987 - 5990, View in Reaxys; Zhang, Peng; Wolf, Christian; Chemical Communications; vol. 49; nb. 62; (2013); p. 7010 7012, View in Reaxys

Ebru Aydin; Yuksekdanaci, Seda; Tetrahedron Asymmetry; vol. 24; nb. 1; (2013); p. 14 - 22, View in Reaxys

(1S,2R)-7b

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

6; (1S,2R)-6

Bentley, Keith W.; Wolf, Christian; Journal of the American Chemical Society; vol. 135; nb. 33; (2013); p. 12200 - 12203, View in Reaxys

(1S,2R)-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

Fotsch; Sonnenberg; Chen; Hale; Karbon; Norman; Journal of Medicinal Chemistry; vol. 44; nb. 14; (2001); p. 2344 - 2356, View in Reaxys; Liu, Pei Nian; Chen, Ying Chun; Li, Xue Qiang; Tu, Yong Qiang; Deng, Jin Gen; Tetrahedron Asymmetry; vol. 14; nb. 16; (2003); p. 2481 - 2485, View in Reaxys; Bastin, Stephanie; Eaves, Richard J.; Edwards, Christopher W.; Ichihara, Osamu; Whittaker, Mark; Wills, Martin; Journal of Organic Chemistry; vol. 69; nb. 16; (2004); p. 5405 - 5412, View in Reaxys; Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys

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Szulc, Zdzislaw M.; Mayroo, Nalini; Bai, AiPing; Bielawski, Jacek; Liu, Xiang; Norris, James S.; Hannun, Yusuf A.; Bielawska, Alicja; Bioorganic and Medicinal Chemistry; vol. 16; nb. 2; (2008); p. 1015 1031, View in Reaxys

ent-12

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

Bohe, Luis; Lusinchi, Marie; Lusinchi, Xavier; Tetrahedron; vol. 55; nb. 1; (1999); p. 141 - 154, View in Reaxys; Kanizsai, Ivan; Szakonyi, Zsolt; Sillanpaeae, Reijo; D'hooghe, Matthias; Kimpe, Norbert De; Fueloep, Ferenc; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2857 - 2863, View in Reaxys; Pamies, Oscar; Dieguez, Montserrat; Chemistry - A European Journal; vol. 14; nb. 3; (2008); p. 944 - 960, View in Reaxys

Gandhi, Shikha; Bisai, Alakesh; Prasad, B. A. Bhanu; Singh, Vinod K.; Journal of Organic Chemistry; vol. 72; nb. 6; (2007); p. 2133 - 2142, View in Reaxys

(1R,2S)-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

(1S,2R)-2g

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

32d

Orito, Kazuhiko; Miyazawa, Mamoru; Nakamura, Takatoshi; Horibata, Akiyoshi; Ushito, Harumi; Nagasaki, Hideo; Yuguchi, Motoki; Yamashita, Satoshi; Yamazaki, Tetsuro; Tokuda, Masao; Journal of Organic Chemistry; vol. 71; nb. 16; (2006); p. 5951 - 5958, View in Reaxys

2b-(S,R)

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

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

amine for 20

Savoia, Diego; Alvaro, Giuseppe; Di Fabio, Romano; Gualandi, Andrea; Fiorelli, Claudio; Journal of Organic Chemistry; vol. 71; nb. 25; (2006); p. 9373 - 9381, View in Reaxys

Van, Tuyen Nguyen; De Kimpe, Norbert; Tetrahedron; vol. 56; nb. 37; (2000); p. 7299 - 7304, View in Reaxys; Frelek, Jadwiga; Gorecki, Marcin; Jazwinski, Jaroslaw; Masnyk, Marek; Ruskowska, Patrycja; Szmigielski, Rafal; Tetrahedron Asymmetry; vol. 16; nb. 19; (2005); p. 3188 - 3197, View in Reaxys

educt to B/C fig.4. Diaz, David D.; Lewis, Warren G.; Finn; Chemistry Letters; vol. 34; nb. 1; (2005); p. 78 - 79, View in Reaxys 1f

Aydogan, Feray; Demir, Ayhan S.; Tetrahedron; vol. 61; nb. 12; (2005); p. 3019 - 3023, View in Reaxys

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

substrate to 8

Meng, Jun-Cai; Fokin, Valery V.; Finn; Tetrahedron Letters; vol. 46; nb. 27; (2005); p. 4543 - 4546, View in Reaxys

(1R,2S)-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

(S,R)-1c

Demir, Ayhan S.; Igdir, A. Cigdem; Guenay, N. Batuhan; Tetrahedron Asymmetry; vol. 16; nb. 19; (2005); p. 3170 - 3175, View in Reaxys

educt to 10 (to 7a)

Clavier, Herve; Coutable, Ludovic; Toupet, Loic; Guillemin, Jean-Claude; Mauduit, Marc; Journal of Organometallic Chemistry; vol. 690; nb. 23; (2005); p. 5237 - 5254, View in Reaxys

Dinsmore, Christopher J.; Mercer, Swati P.; Organic Letters; vol. 6; nb. 17; (2004); p. 2885 - 2888, View in Reaxys

Krishnan, Shyam; Schreiber, Stuart L.; Organic Letters; vol. 6; nb. 22; (2004); p. 4021 - 4024, View in Reaxys

from cis-4R,5S

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

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amino alcohol to 9

Tite, Tony; Lallemand, Marie-Christine; Poupon, Erwan; Kunesch, Nicole; Tillequin, Francois; GravierPelletier, Christine; Merrer, Yves Le; Husson, Henri-Philippe; Bioorganic and Medicinal Chemistry; vol. 12; nb. 19; (2004); p. 5091 - 5097, View in Reaxys

(1S,2R)-norephedrine

Salas-Coronado, Raul; Sanchez-Ruiz, Sonia A.; Galvez-Ruiz, Juan Carlos; Flores-Parra, Angelina; Heterocycles; vol. 60; nb. 5; (2003); p. 1111 - 1122, View in Reaxys

(+)-8

Ishida, Yasuhiro; Amano, Sayaka; Saigo, Kazuhiko; Chemical Communications; nb. 18; (2003); p. 2338 2339, View in Reaxys

Carloni, Silvia; De Vos, Dirk E.; Jacobs, Pierre A.; Maggi, Raimondo; Sartori, Giovanni; Sartorio, Raffaella; Journal of Catalysis; vol. 205; nb. 1; (2002); p. 199 - 204, View in Reaxys

Beltran, Hiram I.; Alas, S. Jesus; Santillan, Rosa; Farfan, Norberto; Canadian Journal of Chemistry; vol. 80; nb. 7; (2002); p. 801 - 812, View in Reaxys

1, entry 4

Feroci, Marta; Gennaro, Armando; Inesi, Achille; Orsini, Monica; Palombi, Laura; Tetrahedron Letters; vol. 43; nb. 33; (2002); p. 5863 - 5865, View in Reaxys

(+)-NE

Konoike, Toshiro; Matsumura, Ken-ichi; Yorifuji, Tadahiko; Shinomoto, Shoji; Ide, Yutaka; Ohya, Takashi; Journal of Organic Chemistry; vol. 67; nb. 22; (2002); p. 7741 - 7749, View in Reaxys

NE1

Chang, Young-Tae; Choi, Jaehwa; Ding, Sheng; Prieschl, Eva E.; Baumruker, Thomas; Lee, Jae-Mok; Chung, Sung-Kee; Schultz, Peter G.; Journal of the American Chemical Society; vol. 124; nb. 9; (2002); p. 1856 - 1857, View in Reaxys

educt to 9

Everaere, Kathelyne; Mortreux, Andre; Bulliard, Michel; Brussee, Johannes; Van Der Gen, Arne; Nowogrocki, Guy; Carpentier, Jean-Francois; European Journal of Organic Chemistry; nb. 2; (2001); p. 275 291, View in Reaxys

Table 2, 1 Entry 6

Chiarotto, Isabella; Feroci, Marta; Tetrahedron Letters; vol. 42; nb. 20; (2001); p. 3451 - 3453, View in Reaxys

Helgen; Bochet; Synlett; nb. 12; (2001); p. 1968 - 1970, View in Reaxys

13e, 18e

Katritzky; Mehta; He; Journal of Organic Chemistry; vol. 66; nb. 1; (2001); p. 148 - 152, View in Reaxys

(S,R)-1i

Demir; Akhmedov; Sesenoglu; Alptuerk; Apaydin; Gercek; Ibrahimzade; Journal of the Chemical Society. Perkin Transactions 1; nb. 10; (2001); p. 1162 - 1167, View in Reaxys

Substrate 6

Feroci, Marta; Inesi, Achille; Mucciante, Vittoria; Rossi, Leucio; Tetrahedron Letters; vol. 40; nb. 33; (1999); p. 6059 - 6060, View in Reaxys

Hegedues, H.; Gergely, A.; Horvath, P.; Noszal, B.; Journal of Chemical Research, Miniprint; nb. 5; (1999); p. 1331 - 1342, View in Reaxys

precursor to (1S, 2R)-4

De Sousa, Simon E.; O'Brien, Peter; Steffens, H. Christian; Tetrahedron Letters; vol. 40; nb. 48; (1999); p. 8423 - 8425, View in Reaxys

Everaere, Kathelyne; Carpentier, Jean-Francois; Mortreux, Andre; Bulliard, Michel; Tetrahedron Asymmetry; vol. 10; nb. 21; (1999); p. 4083 - 4086, View in Reaxys

(1S,2R)-5

Soai, Kenso; Yokoyama, Shuji; Hayasaka, Tomoiki; Journal of Organic Chemistry; vol. 56; nb. 13; (1991); p. 4264 - 4268, View in Reaxys; 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

NPSE

Gurley; Journal of Pharmaceutical Sciences; vol. 87; nb. 12; (1998); p. 1547 - 1553, View in Reaxys

8 (1S, 2R)

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

(1S,2R)-8

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

Guerrier; Royer; Grierson; Husson; Journal of the American Chemical Society; vol. 105; nb. 26; (1983); p. 7754 - 7755, View in Reaxys

(+)-4

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

Scheme 10, 1st compound

Husson, Henri-Philippe; Bulletin des Societes Chimiques Belges; vol. 91; nb. 12; (1982); p. 985 - 996, View in Reaxys

5, (+)erythro

Kleemann; Heese; Engel; Arzneimittel-Forschung/Drug Research; vol. 31; nb. 8; (1981); p. 1178 - 1183, View in Reaxys

Patent-Specific Data (3) Prophetic ComLocation in Patent References pound

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Page/Page column

Patent; Bayer Intellectual Property GmbH; Lerchen, Hans-Georg; Linden, Lars; El Sheikh, Sherif; Willuda, Jörg; Kopitz, Charlotte Christine; Schuhmacher, Joachim; Greven, Simone; Mahlert, Christoph; Stelte-Ludwig, Beatrix; Golfier, Sven; Beier, Rudolf; Heisler, Iring; Harrenga, Axel; Thierauch, Karl-Heinz; Bruder, Sandra; Petrul, Heike; Jörissen, Hannah; Borkowski, Sandra; US2013/66055; (2013); (A1) English, View in Reaxys; Patent; PFIZER INC.; DOROSKI, Matthew David; MADERNA, Andreas; O'DONNELL, Christopher John; SUBRAMANYAM, Chakrapani; VETELINO, Beth; DUSHIN, Russell George; STROP, Pavel; GRAZIANI, Edmund Idris; US2013/129753; (2013); (A1) English, View in Reaxys; Patent; Bayer Pharma Aktiengesellschaft; Bayer Intellectual Property GmbH; Lerchen, Hans-Georg; Linden, Lars; Sheikh, Sherif El; Willuda, Jörg; Kopitz, Charlotte C.; Schuhmacher, Joachim; Greven, Simone; Mahlert, Christoph; Stelte-Ludwig, Beatrix; Golfier, Sven; Beier, Rudolf; Heisler, Iring; Harrenga, Axel; Thierauch, Karl-Heinz; Bruder, Sandra; Petrul, Heike; Jörißen, Hannah; Brokowski, Sandra; US2014/127240; (2014); (A1) English, View in Reaxys Patent; AVECIA PHARMACEUTICALS LIMITED; WO2006/46062; (2006); (A1) English, View in Reaxys

prophetic product

Patent; Sumitomo Chemical Company, Limited; US5145998; (1992); (A1) English, View in Reaxys; Patent; Sumitomo Chemical Company, Limited; US6403832; (2002); (B1) English, 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 Zur Konfiguration Beilstein Handbook, View in Reaxys der der nachstehend beschriebenen Stereoisomeren vgl. die Angaben ueber die Konfiguration von Ephedrin und Pseudoephedrin. Derivative (6) Comment (Derivative)

Derivative

References

Acutrim

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

Acutrim L-mandelate (mp: 171.5-172 degree ; <alpha>=70.7 degree ); Further

Berrang; Lewin; Carroll; Journal of Organic Chemistry; vol. 47; nb. 13; (1982); p. 2643 2647, View in Reaxys Jarowski; Hartung; Journal of Organic Chemistry; vol. 8; (1943); p. 564,566, View in Reaxys

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Data see Handbook (Solubility) D-mandelate (mp: 164.5-165 degree ; <alpha>=-42.8 degree ); Further Data see Handbook (Solubility)

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

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

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 (4) Purification (method)

References

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

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

LEC, column: C20-Proline phase, 50 deg C

Gelber, Loren R.; Karger, Barry L.; Neumeyer, John L.; Feibush, Binyamin; Journal of the American Chemical Society; vol. 106; nb. 25; (1984); p. 7729 - 7734, View in Reaxys

partition with 0.03 M crown ether/ (ClCH2)2 (aq. phase: 0.5 M NaPF6, 0.03 M amin*HCl), 4 deg C

Prelog, Vladimir; Mutak, Stjepan; Helvetica Chimica Acta; vol. 66; nb. 7; (1983); p. 2274 - 2278, View in Reaxys

partition with 1.0 Prelog, Vladimir; Mutak, Stjepan; Kovacevic, Krunoslav; Helvetica Chimica Acta; vol. 66; nb. 7; (1983); p. M di(5-nonyl es2279 - 2284, View in Reaxys ter) of (R,R)-tartaric acid/(ClCH2)2 (aq. phase: 0.5 M NaPF6, 0.05 M amin*HCl), 4 deg C Melting Point (2) 1 of 2

Melting Point [°C]

50 - 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 2

Melting Point [°C]

Solvent (Melting Point)

H2O

Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys Association (MCS) (11) 1 of 11

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

acetonitrile

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

palladium (II) ion

Zhang, Peng; Wolf, Christian; Chemical Communications; vol. 49; nb. 62; (2013); p. 7010 - 7012, View in Reaxys

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2 of 11

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 11

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 4 of 11

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

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 5 of 11

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

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

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7 of 11

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)) 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))

ethanol

Comment (Association (MCS))

ambient temperature

Partner (Association (MCS))

rhodium(II) acetate

Frelek, Jadwiga; Gorecki, Marcin; Jazwinski, Jaroslaw; Masnyk, Marek; Ruskowska, Patrycja; Szmigielski, Rafal; Tetrahedron Asymmetry; vol. 16; nb. 19; (2005); p. 3188 - 3197, View in Reaxys 11 of 11

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

methanol; acetonitrile

Temperature (Association (MCS)) [°C]

8/112

2017-11-08 16:33:51

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 Chromatographic Data (3) Chromatographic Location data LC (Liquid chromatography) HPLC (High performance 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 supporting information

GC (Gas chroma- supporting infortography) mation

Circular Dichroism (1) Location Comment (Circular Dichroism) supporting information

References

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 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 References

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 (3) Colour & Other Location Properties white

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

colourless

supporting information

Tafeln

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys

Dissociation Exponent (1) 1 of 1

Dissociation Exponent (pK)

9.44

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Lewis; British Journal of Pharmacology and Chemotherapy; vol. 9; (1954); p. 488,490, View in Reaxys Electrochemical Behaviour (1) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Protonation

pH dependence

References

Hegedues, H.; Gergely, A.; Horvath, P.; Noszal, B.; Journal of Chemical Research, Miniprint; nb. 5; (1999); p. 1331 - 1342, View in Reaxys

Mutarotation (1) 1 of 1

Type (Mutarotation)

[alpha]

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2017-11-08 16:33:51

Concentration (Mutarotation)

p=4

Solvent (Mutarotation)

ethanol

Mutarotation [deg]

14.8

Wavelength (Mutarotation) [nm]

589

Temperature (Mutarotation) [°C]

Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys Optical Rotatory Power (6) 1 of 6

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]

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 2 of 6

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.5 g/100ml

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-59

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

Location

supporting information

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys 3 of 6

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

7.0 g/100ml

Solvent (Optical Rotatory Power)

aq. HCl

Optical Rotatory Power [deg]

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

10/112

2017-11-08 16:33:51

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 6

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1.0 g/100ml

Solvent (Optical Rotatory Power)

ethanol

Optical Rotatory Power [deg]

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 6

Patent; Shionogi and Co., Ltd.; US6479671; (2002); (B1) English, View in Reaxys

6 of 6

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

c=0.2

Solvent (Optical Rotatory Power)

ethanol

Optical Rotatory Power [deg]

20.8

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

Jarowski; Hartung; Journal of Organic Chemistry; vol. 8; (1943); p. 564,566, View in Reaxys NMR Spectroscopy (15) 1 of 15

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

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

300

Location

supporting information

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

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

300

11/112

2017-11-08 16:33:51

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 3 of 15

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) 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 4 of 15

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

Coupling Nuclei

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

400

Location

supporting information

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys 5 of 15

Description (NMR Spec- NOESY (Nuclear Overhauser Enhanced Spectroscopy); Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H; 1H

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

27.04

Location

supporting information

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys 6 of 15

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

13C

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

100

Location

supporting information

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys 7 of 15

Nucleus (NMR Spectroscopy)

Coupling Nuclei

12/112

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Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

500

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

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

500

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

125

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 15

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

13/112

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12 of 15

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 13 of 15

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 14 of 15

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

Jackson, W. Roy; Jacobs, Howard A.; Jayatilake, Gamini S.; Matthews, Barry R.; Watson, Keith G.; Australian Journal of Chemistry; vol. 43; nb. 12; (1990); p. 2045 - 2062, View in Reaxys 15 of 15

Description (NMR Spec- Spin-spin coupling constants troscopy) Comment (NMR Spectroscopy)

1H-1H

Jackson, W. Roy; Jacobs, Howard A.; Jayatilake, Gamini S.; Matthews, Barry R.; Watson, Keith G.; Australian Journal of Chemistry; vol. 43; nb. 12; (1990); p. 2045 - 2062, View in Reaxys IR Spectroscopy (1) 1 of 1

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 Mass Spectrometry (3) Description (Mass Location Spectrometry)

References

electrospray ionisation (ESI); spectrum

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

high resolution supporting informass spectrome- mation try (HRMS); spectrum

Xu, Kun; Lai, Guoyin; Zha, Zhenggen; Pan, Susu; Chen, Huanwen; Wang, Zhiyong; Chemistry - A European Journal; vol. 18; nb. 39; (2012); p. 12357 - 12362, View in Reaxys

Use (34) Use Pattern

Location

References

14/112

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decongestant

Patent; PANACEA BIOTEC LTD.; WO2007/72503; (2007); (A2) English, View in Reaxys; Patent; MAIBACH, Todd; WO2008/98195; (2008); (A2) English, View in Reaxys

food-related disorders

Patent; LABORATORIOS DEL DR. ESTEVE, S.A.; EP1743636; (2007); (A1) English, View in Reaxys

alpha-1/alpha-2 Page/Page coladrenoceptor ag- umn 20 onist vasoconstrictor sympathomimetic agent

Patent; ASTRAZENECA AB; WO2007/35154; (2007); (A1) English, View in Reaxys

pharmaceutical dosage forms with impeded extractability

Patent; BASF AKTIENGESELLSCHAFT; US2006/62847; (2006); (A1) English, View in Reaxys

sympathomimetic

Patent; BASF AKTIENGESELLSCHAFT; US2006/62847; (2006); (A1) English, View in Reaxys

Anti-obezity agent

Patent; Meng, Wei; Hamann, Lawrence G.; Brigance, Robert; US2006/142576; (2006); (A1) English, View in Reaxys

bronchodilator

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

Combination with lactose to form a pharmaceutical formulation

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

inhalation therapy

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

reversible airways obstruction

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

chronic obstructive pulmonary diseases (COPD)

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

allergic and seasonal rhinitis

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

inhalation formulations in combination with at least one medicament

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

dry powder pharmaceutical formulation suitable for inhalation

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys

vasoconstrictor

Patent; BINYARCO, LLC; US2006/252726; (2006); (A1) English, View in Reaxys

Epistaxis

Patent; BINYARCO, LLC; US2006/252726; (2006); (A1) English, View in Reaxys

Nosebleed

Patent; BINYARCO, LLC; US2006/252726; (2006); (A1) English, View in Reaxys

asthma

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2006/86270; (2006); (A1) English, View in Reaxys; Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2005/44186; (2005); (A2) English, View in Reaxys; Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2005/44187; (2005); (A2) English, View in Reaxys

rhinitis

upper respiratory tract disease

15/112

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View in Reaxys; Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2005/44187; (2005); (A2) English, View in Reaxys respiratory tract infection

anticholinergic or antispasmodic agent

Patent; ANTARES PHARMA IPL AG; WO2005/107812; (2005); (A1) English, View in Reaxys

Component of composition for topical or transdermal administration

Patent; ANTARES PHARMA IPL AG; WO2005/107812; (2005); (A1) English, View in Reaxys

Obesity

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Achieving desirable weight loss

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Overweight

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Preventing undesirable weight gain

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Reducing body weight

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Maintaining stable weight

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Depression

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Alzheimer's disease

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

Anorexiant

Patent; SEED, John, C.; WO2005/51297; (2005); (A2) English, View in Reaxys

chronic obstructive pulmonary disease

Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2005/44186; (2005); (A2) English, View in Reaxys; Patent; GLAXO GROUP LIMITED; SMITHKLINE BEECHAM CORPORATION; WO2005/44187; (2005); (A2) English, View in Reaxys

emphysema

Isolation from Natural Product (1) Isolation from References Natural Product nutritional supple- Gurley; Journal of Pharmaceutical Sciences; vol. 87; nb. 12; (1998); p. 1547 - 1553, View in Reaxys ments containing Ephedra sinica (ma-huang) Medchem (221) 1 of 221

Substance Effect

Apoptotic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Apoptosis

Bioassay Details

Target : human U937 leukemic cellsBioassay : cells incubated at 37 deg C in 5% CO2/95% air with title comp. for 24 h; MTS added to cells and incubated for additional 2 h; absorbance of blue formazan product measured at 492 nm with plate reader; IC50 calculated

Substance RN

2802896View in Reaxys

Substance Name

1466721

16/112

2017-11-08 16:33:51

Substance Dose

0.800000 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

100

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2802896View in Reaxys

Substance Name

1466721

Qualitative Results

activated adrenergic receptor subtypes, especially α1-adrenerg receptors, in the cardiovascular system of pithed rat

Measurement Parameter

Qualitative

Moya-Huff; Maher; Journal of Pharmacy and Pharmacology; vol. 39; nb. 2; (1987); p. 108 - 112, View in Reaxys 3 of 221

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

corpus striatum

Substance RN

2802896View in Reaxys

Substance Name

(+/-)-norephedrine

Substance Dose

100 µM

Measurement Parameter

% Stimulation

Unit

Measurement Object

% of accumulation

Quantitative value

100

Concomitants: Compound RN

611922

Concomitants: Compound name

Theophylline

Concomitants: Compound role

COM

Baldessarini; Kula; Walton; European Journal of Pharmacology; vol. 56; nb. 1-2; (1979); p. 167 - 171, View in Reaxys 4 of 221

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

corpus striatum

Substance RN

2802896View in Reaxys

Substance Name

(+/-)-norephedrine

Substance Dose

100 µM

17/112

2017-11-08 16:33:51

Measurement Parameter

% Stimulation

Unit

Measurement Object

% of accumulation

Quantitative value

Deviation

Measurement pX

5.28

Concomitants: Compound RN

611922

Concomitants: Compound name

Theophylline

Concomitants: Compound role

COM

Baldessarini; Kula; Walton; European Journal of Pharmacology; vol. 56; nb. 1-2; (1979); p. 167 - 171, View in Reaxys 5 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Tmax

Unit

hour

Quantitative value

1.15

Deviation

0.360000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 6 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 abs

18/112

2017-11-08 16:33:51

Unit

hour

Quantitative value

0.25

Deviation

0.190000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 7 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

4.1

Deviation

0.960000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 8 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

L/h

Quantitative value

21.5

Deviation

3.60000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 9 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

19/112

2017-11-08 16:33:51

Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Vd ss

Unit

Quantitative value

123

Deviation

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 10 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

F(%)

Unit

Quantitative value

61.9

Deviation

6.50000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 11 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Tmax

20/112

2017-11-08 16:33:51

Unit

hour

Quantitative value

3.94

Deviation

1.27000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 12 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 abs

Unit

hour

Quantitative value

1.4

Deviation

0.560000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 13 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

4.81

Deviation

1.24000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 14 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

21/112

2017-11-08 16:33:51

Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

L/h

Quantitative value

21.5

Deviation

3.30000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 15 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Vd ss

Unit

Quantitative value

146

Deviation

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 16 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

F(%)

22/112

2017-11-08 16:33:51

Unit

Quantitative value

61.9

Deviation

5.90000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 17 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

172

Deviation

34.5000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 18 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmin

Unit

ng/mL

Quantitative value

86.7

Deviation

30.1000

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 19 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

23/112

2017-11-08 16:33:51

Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

172

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 20 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmin

Unit

ng/mL

Quantitative value

86.7

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 21 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmax i/Cmax

Quantitative value

1.05

24/112

2017-11-08 16:33:51

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 22 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmin i/Cmin

Quantitative value

0.739

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 23 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC i/AUC

Quantitative value

30.4

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

25/112

2017-11-08 16:33:51

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 24 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Cmax i/Cmax

Quantitative value

0.908

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 25 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

180

Deviation

48.2000

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

26/112

2017-11-08 16:33:51

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 26 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

75 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Repeated men Measurement Parameter

Cmin

Unit

ng/mL

Quantitative value

64.1

Deviation

30.5000

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 27 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC i/AUC

Quantitative value

0.988

Concomitants: Compound RN

6486432

Concomitants: Compound name

Clemastine

27/112

2017-11-08 16:33:51

Concomitants: Compound role

ICP

Schran, Horst F.; Petryk, Lew; Chang, Cheng-Tao; O'Connor, Robert; Gelbert, Mark B.; Journal of Clinical Pharmacology; vol. 36; nb. 10; (1996); p. 911 - 922, View in Reaxys 28 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

Measurement Object

Mean Arterial Pressure

Quantitative value

76.6

Deviation

1.60000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 29 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Frequency

Unit

b.p.m

Quantitative value

58.4

Deviation

2.90000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 30 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Human ID Population State

Non Smoker

28/112

2017-11-08 16:33:51

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Concentration

Unit

pg/mL

Measurement Object

of epinephrine

Quantitative value

24.6

Deviation

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 31 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Concentration

Unit

pg/mL

Measurement Object

of norepinephrine

Quantitative value

109.8

Deviation

6.80000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 32 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men

29/112

2017-11-08 16:33:51

Measurement Parameter

Amount

Unit

meq

Measurement Object

of sodium excreted

Quantitative value

21.5

Deviation

2.63000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 33 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC

Unit

mg.h/L

Quantitative value

925

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 34 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

mL/min

Quantitative value

486

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 35 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

30/112

2017-11-08 16:33:51

Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

5.21

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 36 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

kel

Unit

h-1

Quantitative value

0.141

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 37 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

L/kg

Quantitative value

3.12

31/112

2017-11-08 16:33:51

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 38 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC

Unit

mg.h/L

Quantitative value

925

Deviation

109

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 39 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

mL/min

Quantitative value

486

Deviation

61.9000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 40 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

32/112

2017-11-08 16:33:51

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

5.21

Deviation

0.482000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 41 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

kel

Unit

h-1

Quantitative value

0.141

Deviation

0.0167000

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 42 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

L/kg

Quantitative value

3.12

Deviation

0.347000

33/112

2017-11-08 16:33:51

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 43 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC i/AUC

Quantitative value

1.17

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 44 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Cl i/Cl

Quantitative value

0.94

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 45 of 221

Bioassay Category

Pharmacokinetic

34/112

2017-11-08 16:33:51

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

1.14

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 46 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

kel i/kel

Quantitative value

0.887

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 47 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

35/112

2017-11-08 16:33:51

Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Vd i/Vd

Quantitative value

1.08

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 48 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

AUC

Unit

mg.h/L

Quantitative value

1082

Deviation

236

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 49 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

36/112

2017-11-08 16:33:51

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

mL/min

Quantitative value

457

Deviation

73.3000

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 50 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

5.96

Deviation

0.752000

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 51 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID

37/112

2017-11-08 16:33:51

Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

kel

Unit

h-1

Quantitative value

0.125

Deviation

0.0147000

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 52 of 221

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI Human ID Population State

Non Smoker

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Substance Dose

25 mg

Substance Route of Adm.

oral administration

Substance Dosing Regi- Single men Measurement Parameter

Unit

L/kg

Quantitative value

3.38

Deviation

0.356000

Concomitants: Compound RN

17705; 2802896

Concomitants: Compound name

Caffeine; Norephedrine

Concomitants: Compound role

ICP; ICP

Brown; Ryder; Branch; Clinical Pharmacology and Therapeutics; vol. 50; nb. 4; (1991); p. 363 - 371, View in Reaxys 53 of 221

Target Name

enzyme

Target Synonyms

catalytic; enzyme

38/112

2017-11-08 16:33:51

Target, Subunit, Species enzyme

54 of 221

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

2802896View in Reaxys

Substance Name

1466721

Substance Dose

20 µM

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

Target Name

Trace amine-associated receptor 1 [Rattus norvegicus]

Target Synonyms

ta1 (trace amine-associated receptor 1); taar1; tar-1; tar1; trace amine receptor 1; trace amine-associated receptor 1; trar1

Target Uniprot ID

q923y9

Target, Subunit, Species Trace amine-associated receptor 1 [Rattus norvegicus]

55 of 221

Target Mutant/Chimera Details

Trace amine-associated receptor 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

cAMP production

Cells/Cell Lines

COS7

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Measurement Parameter

EC50

Unit

Quantitative value

1798

Deviation

1376

Measurement pX

5.74

Concomitants: Compound RN

5368869; 24140639; 611922

Concomitants: Compound name

Phosphoramidon; Leupeptine; Theophylline

Concomitants: Compound role

COM; COM; COM

Substance Effect

Decongestant

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

39/112

2017-11-08 16:33:51

Substance RN

2802896View in Reaxys

Substance Name

Norephedrine

Measurement Parameter

Qualitative

Qualitative value

; (2012); Type: Review, Lab: EFF_071212, Owner: EFFECT, Number: 000, Revision: 07.12.2012 00:00:00, View in Reaxys 56 of 221

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2802896View in Reaxys

Substance Name

1466721

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 57 of 221

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

telencephalon

Substance RN

2802896View in Reaxys

Substance Name

Phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

197.9

Deviation

Measurement pX

3.7

Concomitants: Compound RN

2205872

Concomitants: Compound name

[3H]-d-Amphetamine

Concomitants: Compound role

RAD

Zaczek; Culp; Goldberg; Mccann; De Souza; The Journal of pharmacology and experimental therapeutics; vol. 257; nb. 2; (1991); p. 820 - 829, View in Reaxys 58 of 221

Target Name

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

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

40/112

2017-11-08 16:33:51

Bioassay Name

Binding

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Gland: submandibular

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Unit

Qualitative value

Quantitative value

10000

Measurement pX

Concomitants: Compound RN

8728926

Concomitants: Compound name

[3H]-Prazosin

Concomitants: Compound role

RAD

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 59 of 221

Target Name

Alpha-1B adrenergic receptor [Syrian hamster]

Target Synonyms

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

Target Uniprot ID

p18841

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

Alpha-1B adrenergic receptor [Syrian hamster]:Wild

Target Species (Bioactivity)

Syrian hamster

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Unit

Qualitative value

Quantitative value

10000

Measurement pX

Concomitants: Compound RN

8728926

Concomitants: Compound name

[3H]-Prazosin

Concomitants: Compound role

RAD

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys

41/112

2017-11-08 16:33:51

60 of 221

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

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Unit

Qualitative value

Quantitative value

10000

Measurement pX

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 61 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI dog ID Substance RN

2802896View in Reaxys

Substance Name

PPA

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED20

Unit

nmol/kg

Measurement Object

blood pressure increase of 20mmHg

Quantitative value

331

Deviation

Concomitants: Compound RN

1852087; 24142278

42/112

2017-11-08 16:33:51

Concomitants: Compound name

Isoflurane; Sodium thiopental

Concomitants: Compound role

ANA; ANA

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 62 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Urethral pressure

Biological Species/NCBI dog ID Substance RN

2802896View in Reaxys

Substance Name

PPA

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED5

Unit

nmol/kg

Measurement Object

intraurethral pressure increase of 5 mmHg

Quantitative value

1092

Deviation

384

Concomitants: Compound RN

1852087; 24142278

Concomitants: Compound name

Isoflurane; Sodium thiopental

Concomitants: Compound role

ANA; ANA

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 63 of 221

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Measurement Parameter

43/112

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Unit

µM

Quantitative value

612

Measurement pX

3.21

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 64 of 221

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

1464

Measurement pX

2.84

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 65 of 221

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)

44/112

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Bioassay Name

Binding

Biological Species/NCBI mongrel dog ID Organs/Tissues

frontal cortex

Cell Fraction

Membrane

Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Measurement Parameter

Unit

µM

Quantitative value

Measurement pX

4.92

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 66 of 221

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.82

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

45/112

2017-11-08 16:33:51

67 of 221

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Measurement Parameter

Unit

µM

Quantitative value

215

Measurement pX

3.67

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 68 of 221

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

46/112

2017-11-08 16:33:51

Measurement Parameter

IC50

Unit

µM

Quantitative value

486

Measurement pX

3.31

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 69 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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 70 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Pressure

Unit

mmHg

47/112

2017-11-08 16:33:51

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 71 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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 72 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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

48/112

2017-11-08 16:33:51

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 73 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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 74 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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 75 of 221

Bioassay Category

In Vivo (Animal models)

49/112

2017-11-08 16:33:51

Bioassay Name

Intraocular pressure

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

2802896View 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 76 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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 77 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View in Reaxys

50/112

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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 78 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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 79 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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 80 of 221

Bioassay Category

In Vivo (Animal models)

51/112

2017-11-08 16:33:51

Bioassay Name

Mydriasis

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

2802896View 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 81 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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 82 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

52/112

2017-11-08 16:33:51

Measurement Object

Diameter

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 83 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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 84 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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 85 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 mg/kg

Substance Route of Adm.

intraperitoneal administration

53/112

2017-11-08 16:33:51

Substance Dosing Regi- Single men Measurement Parameter

% Max

Unit

Measurement Object

Stimulation (Horizontal activity)

Quantitative value

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 86 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regi- Single men Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Horizontal activity

Quantitative value

7.9

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 87 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 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 88 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

54/112

2017-11-08 16:33:51

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 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 89 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 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 90 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI Swiss Webster mouse ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

2.50000 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

2.6

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 91 of 221

Bioassay Category

In Vivo (Animal models)

55/112

2017-11-08 16:33:51

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

120 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

% Inhibition

Unit

Measurement Object

Nasal airway pressure

Quantitative value

13.6

Deviation

4.40000

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 92 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

6 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-0.03

Deviation

0.300000

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

56/112

2017-11-08 16:33:51

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 93 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

12 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-0.7

Deviation

1.20000

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 94 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

60 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-0.07

Deviation

1.50000

Concomitants: Compound RN

24141036

Concomitants: Compound name

Pentobarbital sodium

Concomitants: Compound role

ANA

57/112

2017-11-08 16:33:51

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 95 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

30 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Delta

Unit

mmH2O

Measurement Object

Nasal airway pressure

Quantitative value

-0.8

Deviation

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 96 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Blood pressure

Biological Species/NCBI mongrel dog ID Population State

Healthy

Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Repeated men Measurement Parameter

ED10

Unit

µg/kg

Quantitative value

400

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 97 of 221

Bioassay Category

In Vivo (Animal models)

58/112

2017-11-08 16:33:51

Bioassay Name

Blood pressure

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED10

Unit

µg/kg

Quantitative value

300

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 98 of 221

Target Name

Alpha-1A adrenergic receptor [rabbit]

Target Synonyms

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI New Zealand White (rabbit) ID Organs/Tissues

urethra

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

pD2

Quantitative value

3.7

Measurement pX

3.7

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys

59/112

2017-11-08 16:33:51

99 of 221

Target Name

Alpha-1A adrenergic receptor [rabbit]

Target Synonyms

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI New Zealand White (rabbit) ID Organs/Tissues

urethra

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Emax(%)

Unit

Quantitative value

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 100 of 221 Target Name

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

spleen

Substance RN

2802896View in Reaxys

Substance Name

PPA

60/112

2017-11-08 16:33:51

Measurement Parameter

pD2

Quantitative value

3.6

Measurement pX

3.6

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 101 of 221 Target Name

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

spleen

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Emax(%)

Unit

Quantitative value

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 102 of 221 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]

61/112

2017-11-08 16:33:51

Target Mutant/Chimera Details

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

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

thoracic aorta

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

pD2

Quantitative value

4.2

Measurement pX

4.2

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 103 of 221 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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues

thoracic aorta

Substance RN

2802896View in Reaxys

Substance Name

PPA

Measurement Parameter

Emax(%)

Unit

62/112

2017-11-08 16:33:51

Quantitative value

Concomitants: Compound RN

987417

Concomitants: Compound name

Propranolol

Concomitants: Compound role

COM

Patent; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Kolasa, Teodozyj; Sullivan, James P.; US2001/39255; (2001); (A1) English, View in Reaxys 104 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

0.700000

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 105 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

0.900000

63/112

2017-11-08 16:33:51

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 106 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

1.20000

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 107 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

0.900000

Concomitants: Compound RN

3754950

64/112

2017-11-08 16:33:51

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 108 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

1.20000

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 109 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Intraocular pressure

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

2802896View 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

1.80000

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

65/112

2017-11-08 16:33:51

Concomitants: Compound role

ANA

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 110 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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

0.700000

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 111 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Intraocular pressure

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

2802896View 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

Concomitants: Compound RN

3754950

Concomitants: Compound name

Proparacaine HCL

Concomitants: Compound role

ANA

66/112

2017-11-08 16:33:51

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 112 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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

0.300000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 113 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 114 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

67/112

2017-11-08 16:33:51

Substance Dosing Regi- Single men Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 115 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 116 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 117 of 221

Bioassay Category

In Vivo (Animal models)

68/112

2017-11-08 16:33:51

Bioassay Name

Mydriasis

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

2802896View 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

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 118 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View 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

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 119 of 221

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Mydriasis

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

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

Substance Route of Adm.

topical administration

Substance Dosing Regi- Single men

69/112

2017-11-08 16:33:51

Measurement Parameter

Length

Unit

Measurement Object

Diameter

Quantitative value

Deviation

0.400000

Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 120 of 221 Bioassay Category Bioassay Name

In Vivo (Animal models) Respiratory measurement

Biological Species/NCBI Sprague Dawley rat ID Substance RN

2802896View in Reaxys

Substance Name

(+)-phenylpropanolamine

Substance Dose

120 µg

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

% Inhibition

Unit

Quantitative value

10.5

Deviation

1.40000

Statistical sgnificance (p-value)

0.002

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 121 of 221 Target Name

Alpha-1B adrenergic receptor [Syrian hamster]

Target Synonyms

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

Target Uniprot ID

p18841

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

Alpha-1B adrenergic receptor [Syrian hamster]:Wild

Target Species (Bioactivity)

Syrian hamster

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Substance RN

2802896View in Reaxys

Substance Name

70/112

2017-11-08 16:33:51

Measurement Parameter

Unit

µM

Quantitative value

9.6

Measurement pX

5.02

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

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 122 of 221 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

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Cells/Cell Lines

LTK-

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Unit

µM

Quantitative value

8.4

Measurement pX

5.08

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

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

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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

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Gland: submandibular

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Unit

µM

Quantitative value

9.8

Measurement pX

5.01

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

EC50

Unit

µM

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Quantitative value

230

Deviation

Measurement pX

3.64

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Spleen

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

EC50

Unit

µM

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Aorta

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

EC50

Unit

µM

Quantitative value

Deviation

Measurement pX

4.24

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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

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Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Spleen

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Aorta

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

In Vivo (Animal models)

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Bioassay Name

Urethral pressure

Biological Species/NCBI dog Beagle ID Substance RN

2802896View in Reaxys

Substance Name

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED5

Unit

nM/kg

Measurement Object

IUP

Quantitative value

1100

Deviation

400

In Vivo (Animal models) Urethral pressure

Biological Species/NCBI dog Beagle ID Substance RN

2802896View in Reaxys

Substance Name

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

ED20

Unit

nM/kg

Measurement Object

MAP

Quantitative value

330

Deviation

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

Target Transfection

Non Transfected

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Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Gland: submandibular

Cell Fraction

Membrane

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pKi

Quantitative value

5.01

Deviation

0.200000

Measurement pX

5.01

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 133 of 221 Target Name Target Synonyms

Alpha-1B adrenergic receptor [hamster] 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

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pKi

Quantitative value

5.02

Deviation

0.180000

Measurement pX

5.02

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

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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

Target Transfection

Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pKi

Quantitative value

5.07

Deviation

0.190000

Measurement pX

5.07

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

Organ contraction

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pD2

Quantitative value

3.63

Deviation

0.100000

Measurement pX

3.63

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI rabbit ID Organs/Tissues

Urethra

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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]

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Target Mutant/Chimera Details

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

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Spleen

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pD2

Quantitative value

3.55

Deviation

0.140000

Measurement pX

3.55

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Spleen

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Aorta: thoracic

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pD2

Quantitative value

4.12

Deviation

0.110000

Measurement pX

4.12

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

Target Transfection

Non Transfected

Substance Action on Target

Agonist

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Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Aorta: thoracic

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pKi

Quantitative value

6.56

Measurement pX

6.56

Concomitants: Compound RN

97277

Concomitants: Compound name

[3H]-Rauwolscine

Concomitants: Compound role

RAD

Alpha-2B adrenergic receptor [Rattus norvegicus]

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Target Synonyms

adra2b; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar

Target Uniprot ID

p19328

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

Alpha-2B adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Lung

Cell Fraction

Membrane

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pKi

Quantitative value

6.58

Deviation

0.0400000

Measurement pX

6.58

Concomitants: Compound RN

97277

Concomitants: Compound name

[3H]-Rauwolscine

Concomitants: Compound role

RAD

Alpha-2A adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47

Target Uniprot ID

p22909

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

Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

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Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Vas deferens: prostatic portion

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

pD2

Quantitative value

5.17

Deviation

0.0900000

Measurement pX

5.17

Alpha-2A adrenergic receptor [Rattus norvegicus]

Target Synonyms

adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47

Target Uniprot ID

p22909

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

Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Organ contraction

Biological Species/NCBI Rattus norvegicus ID Organs/Tissues

Vas deferens: prostatic portion

Substance RN

2802896View in Reaxys

Substance Name

Measurement Parameter

Emax(%)

Unit

Quantitative value

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:

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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

2802896View in Reaxys

Substance Name

1466721

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 146 of 221 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

2802896View in Reaxys

Substance Name

1466721

Substance Dose

1 nM

Qualitative Results

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

Measurement Parameter

Qualitative

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

2802896View in Reaxys

Substance Name

1466721

Substance Dose

1 nM

Qualitative Results

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

Measurement Parameter

Qualitative

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

2802896View in Reaxys

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Substance Name

1466721

Substance Dose

2750 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

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

2802896View in Reaxys

Substance Name

1466721

Measurement Parameter

Qualitative

Qualitative value

Measurement pX

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

2802896View in Reaxys

Substance Name

1466721

Measurement Parameter

EC50

Unit

Quantitative value

1371

Measurement pX

5.86

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

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Substance RN

2802896View in Reaxys

Substance Name

1466721

Measurement Parameter

EC50

Unit

Quantitative value

137

Measurement pX

6.86

In Vivo (Animal models) Urethral pressure

Biological Species/NCBI dog Beagle ID Substance RN

2802896View in Reaxys

Substance Name

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men Measurement Parameter

Dose

Unit

nmol/kg

Measurement Object

inducing a 5 mmHg increase of Intraurethral Pressure

Quantitative value

1100

Deviation

400

Concomitants: Compound RN

1852087

Concomitants: Compound name

Isoflurane

Concomitants: Compound role

ANA

In Vivo (Animal models) Blood pressure

Biological Species/NCBI dog Beagle ID Substance RN

2802896View in Reaxys

Substance Name

Substance Route of Adm.

intravenous administration

Substance Dosing Regi- Single men

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Measurement Parameter

Dose

Unit

nmol/kg

Measurement Object

inducing a 20 mmHg increase of Mean Arterial Pressure

Quantitative value

330

Deviation

Concomitants: Compound RN

1852087

Concomitants: Compound name

Isoflurane

Concomitants: Compound role

ANA

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

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro binding affinity of compound towards adrenal Phenylethanolamine N-Methyltransferase of bovine

Biological Species/NCBI taurine cattle ID Substance RN

2802896View in Reaxys

Measurement Parameter

Unit

µM

Measurement Object

Binding affinity of compound towards adrenal Phenylethanolamine N-Methyltransferase of bovine

Qualitative value

Quantitative value

2980

Deviation

320

Measurement pX

2.53

155 of 221 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]

88/112

2017-11-08 16:33:51

Target Mutant/Chimera Details

Alpha-2B adrenergic receptor [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against recombinant human alpha-2B adrenoceptor expressed CHO cell line upon incubation in 50 uM phosphate buffer, pH 7.4 for 30-40 min at RT using 0.3 nM [3H]RS 79948-197 as radioligand by competition-binding assay

Biological Species/NCBI Human ID Cells/Cell Lines

CHO

Substance RN

2802896View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

1000

Measurement pX

Concomitants: Compound name

[3H]RS 79948-197

Concomitants: Compound role

RAD

156 of 221 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

2802896View in Reaxys

Measurement Parameter

EC50

Unit

Measurement Object

Release of Norepinephrine transporter from rat brain synaptosomes

Qualitative value

Quantitative value

137

Deviation

8.9

Measurement pX

6.86

Concomitants: Compound name

[3H]MPP

Concomitants: Compound role

RAD

89/112

2017-11-08 16:33:51

157 of 221 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 Substance RN

2802896View in Reaxys

Measurement Parameter

EC50

Unit

Measurement Object

Eelease of Dopamine transporter from rat brain synaptosomes

Qualitative value

Quantitative value

1371

Deviation

Measurement pX

5.86

Concomitants: Compound name

[3H]MPP

Concomitants: Compound role

RAD

158 of 221 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

2802896View in Reaxys

Qualitative Results

Inactive

Measurement Parameter

EC50

Measurement Object

Effective concentration

Qualitative value

Measurement pX

90/112

2017-11-08 16:33:51

159 of 221 Bioassay Category Bioassay Details

In Vivo (Animal models) Effect on blood pressure was determined in anaesthetized dog at 3x10e-7 moles/Kg administered intravenously; Increase in blood pressure

Biological Species/NCBI dog ID Substance RN

2802896View in Reaxys

Substance Route of Adm.

intravenous administration

Qualitative Results

Increase in blood pressure

Measurement Parameter

Activity

Measurement Object

Blood Pressure

Qualitative value

ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 160 of 221 Bioassay Category Bioassay Details

In Vitro (Efficacy) Effect on respiration was determined in anaesthetized dog at 3x10e-7 moles/Kg administered intravenously; Increase in respiration

Biological Species/NCBI dog ID Substance RN

2802896View in Reaxys

Substance Route of Adm.

intravenous administration

Qualitative Results

Increase in respiration

Measurement Parameter

Activity

Measurement Object

Increase in respiration

Qualitative value

ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 161 of 221 Bioassay Category Bioassay Details

Toxicity/Safety Pharmacology Systolic blood pressure in cats after administration

Biological Species/NCBI domestic cat ID Substance RN

2802896View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Blood Pressure

McLeod, Robbie L.; Rizzo, Charlie A.; West Jr., Robert E.; Aslanian, Robert; McCormick, Kevin; Bryant, Matthew; Hsieh, Yunsheng; Korfmacher, Walter; Mingo, Garfield G.; Varty, Loriann; Williams, Shirley M.; Shih, Neng-Yang; Egan, Robert W.; Hey, John A.; Journal of Pharmacology and Experimental Therapeutics; vol. 305; nb. 3; (2003); p. 1037 - 1044, View in Reaxys 162 of 221 Bioassay Category Bioassay Details

In Vivo (Animal models) Dose of the compound to inhibit nasal effects in cats after peroral administration

Biological Species/NCBI domestic cat ID Substance RN

2802896View in Reaxys

Substance Route of Adm.

oral administration

91/112

2017-11-08 16:33:51

Measurement Parameter

Dose

Unit

mg/kg

Qualitative value

Quantitative value

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

2802896View 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 164 of 221 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

2802896View 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 165 of 221 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 = 15 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View in Reaxys

92/112

2017-11-08 16:33:51

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 166 of 221 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 = 21 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 167 of 221 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 = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 168 of 221 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 = 20 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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

93/112

2017-11-08 16:33:51

169 of 221 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 = 0-2 mm change

Biological Species/NCBI rabbit ID Substance RN

2802896View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Mydriatic response in rabbit eye

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 170 of 221 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 = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 171 of 221 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 = 15 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 172 of 221 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)

94/112

2017-11-08 16:33:51

Bioassay Details

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

Substance RN

2802896View 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 173 of 221 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 low affinity binding sites of dog alpha-2 adrenergic receptor determined by saturation analysis

Substance RN

2802896View 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 174 of 221 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

2802896View 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 175 of 221 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

95/112

2017-11-08 16:33:51

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

2802896View in Reaxys

Measurement Parameter

Unit

Qualitative value

Quantitative value

3.01

Measurement pX

8.52

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 176 of 221 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

2802896View in Reaxys

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 177 of 221 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

2802896View in Reaxys

Measurement Parameter

Unit

96/112

2017-11-08 16:33:51

Qualitative value

Quantitative value

0.15

Measurement pX

9.82

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 178 of 221 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 low affinity binding sites of dog alpha-2 adrenergic receptor determined by Scatchard analysis

Substance RN

2802896View 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 179 of 221 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

2802896View 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 180 of 221 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

97/112

2017-11-08 16:33:51

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

2802896View in Reaxys

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 181 of 221 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

2802896View 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 182 of 221 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 = 6 mm

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 183 of 221 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 = 6 mm

98/112

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Biological Species/NCBI rabbit ID Substance RN

2802896View 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 184 of 221 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 = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 185 of 221 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

2802896View 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 186 of 221 Bioassay Category Bioassay Details

In Vitro (Efficacy) Mydriatic response in rabbit eye after treatment of compound at a dose of 1; Range = 0-2 mm change, untreated eye = 0 mm change

Biological Species/NCBI rabbit ID Substance RN

2802896View in Reaxys

Measurement Parameter

Activity

99/112

2017-11-08 16:33:51

Unit

Measurement Object

Mydriatic response

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 187 of 221 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 towards beta-2 adrenergic receptor to that of alpha-2 adrenergic receptor

Substance RN

2802896View 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 188 of 221 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

2802896View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 189 of 221 Target Name

Beta-2 adrenergic receptor [dog]

100/112

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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

2802896View 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 190 of 221 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

2802896View 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 191 of 221 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

2802896View in Reaxys

101/112

2017-11-08 16:33:51

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 192 of 221 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 saturation analysis

Substance RN

2802896View 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 193 of 221 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

2802896View 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 194 of 221 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

102/112

2017-11-08 16:33:51

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

2802896View 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 195 of 221 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 (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

2802896View 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 196 of 221 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

2802896View in Reaxys

Measurement Parameter

Unit

103/112

2017-11-08 16:33:51

Qualitative value

Quantitative value

8.9

Measurement pX

11.1

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 197 of 221 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 125ICYP as radioligand incubated for 110 min at 30 degree C determined by Scatchard analysis

Substance RN

2802896View 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 198 of 221 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

2802896View 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 199 of 221 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]

104/112

2017-11-08 16:33:51

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

2802896View 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 200 of 221 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

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

2802896View in Reaxys

Measurement Parameter

IC50

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 201 of 221 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

2802896View in Reaxys

Measurement Parameter

Unit

105/112

2017-11-08 16:33:51

Qualitative value

Quantitative value

9.6

Measurement pX

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 202 of 221 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

Substance RN

2802896View 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 203 of 221 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

2802896View 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 204 of 221 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 = 7 mm

106/112

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Biological Species/NCBI rabbit ID Substance RN

2802896View 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 205 of 221 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 = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 206 of 221 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

2802896View 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 207 of 221 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 = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2802896View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

107/112

2017-11-08 16:33:51

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 208 of 221 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 Substance RN

2802896View 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 209 of 221 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 = 17 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 210 of 221 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 = 20 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 211 of 221

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

108/112

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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

2802896View 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 212 of 221 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

2802896View 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 213 of 221 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 = 7 mm

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 214 of 221 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

2802896View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

109/112

2017-11-08 16:33:51

Qualitative value

Quantitative value

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 215 of 221 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 = 21 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 216 of 221 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

2802896View 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 217 of 221 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

2802896View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Pupil diameter

Qualitative value

Quantitative value

110/112

2017-11-08 16:33:51

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 218 of 221 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

2802896View 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 219 of 221 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 = 19 mmHg

Biological Species/NCBI rabbit ID Substance RN

2802896View 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 220 of 221 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

2802896View 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 221 of 221 Target Name

Alpha 2 adrenergic receptor [dog]

111/112

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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

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

2802896View in Reaxys

Measurement Parameter

Qualitative

Measurement Object

Qualitative value

Not Published

Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys

112/112

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