Query Query
Date
1 substances in Reaxys
2017-11-08 16h:47m:13s (EST)
OH
H
1. Query
Results
H 2N H
Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals
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Reaxys ID 2207679 View in Reaxys
1/1 CAS Registry Number: 37577-07-4 Chemical Name: Norpseudoephedrine; (1R,2R)-norephidrine Linear Structure Formula: (C6H5)CH(OH)CH(NH2)CH3 Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: DLNKOYKMWOXYQA-APPZFPTMSA-N Note:
OH
H H 2N
H
Substance Label (15) Label References Formula 5
Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys
1'
Balachandran; Chennakesava Rao; Arun; Emi; Yamamoto; Inaguma; Okamoto; Easwaramoorthi; Perumal; RSC Advances; vol. 6; nb. 99; (2016); p. 96946 - 96962, View in Reaxys
2b
Patent; ILLINOIS STATE UNIVERSITY; US2008/58551; (2008); (A1) English, View in Reaxys
1b
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys
7b
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
1r
Aitken, David J.; Besson, Laure; Fournier, Francoise; Husson, Henri-Philippe; Lemoine, Pascale; Lesage, Denis; Libot, Francine; Martin, Pierre-Guy; Mellin-Morliere, Christelle; Monnier, Valerie; Tabet, Jean-Claude; Viossat, Bernard; Heterocycles; vol. 64; (2004); p. 277 - 289, View in Reaxys
from trans-4R,5R
Meririnne, Esa; Ellermaa, Satu; Kankaanpaeae, Aino; Bardy, Ali; Seppaelae, Timo; Journal of Pharmacology and Experimental Therapeutics; vol. 309; nb. 3; (2004); p. 1198 - 1205, View in Reaxys
starting to 7
Kim, Geon-Joong; Kim, Sang-Han; Chong, Pong-Hyun; Kwon, Mi-Ae; Tetrahedron Letters; vol. 43; nb. 45; (2002); p. 8059 - 8062, View in Reaxys
1e
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
17
Nishimura, Masaaki; Minakata, Satoshi; Takahashi, Toru; Oderaotoshi, Yoji; Komatsu, Mitsuo; Journal of Organic Chemistry; vol. 67; nb. 7; (2002); p. 2101 - 2110, View in Reaxys
5
Minakata, Satoshi; Nishimura, Masaaki; Takahashi, Toru; Oderaotoshi, Yoji; Komatsu, Mitsuo; Tetrahedron Letters; vol. 42; nb. 51; (2001); p. 9019 - 9022, View in Reaxys
3
Klumpp; Aguirre; Sanchez Jr.; de Leon; Organic letters; vol. 3; nb. 17; (2001); p. 2781 - 2784, View in Reaxys
NPSE
Gurley; Journal of Pharmaceutical Sciences; vol. 87; nb. 12; (1998); p. 1547 - 1553, View in Reaxys
starting to 1m
Knoelker, Hans-Joachim; Braxmeier, Tobias; Tetrahedron Letters; vol. 39; nb. 51; (1998); p. 9407 - 9410, View in Reaxys
11
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys
Patent-Specific Data (2) Prophetic ComLocation in Patent References pound prophetic product
Page/page column 6
prophetic product
Patent; ILLINOIS STATE UNIVERSITY; US2008/58551; (2008); (A1) English, View in Reaxys Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
0.998
H Bond Donors
2
H Bond Acceptors
2
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Rotatable Bonds
2
TPSA
46.25
Lipinski Number
4
Veber Number
2
Related Structure (1) Related Structure References Zur Konfiguration der nachstehend beschriebenen Stereoisomeren vgl. die Angaben ueber die Konfiguration von Ephedrin und Pseudoephedrin. Derivative (8) Comment (Derivative)
Beilstein Handbook, View in Reaxys
Derivative
References
(1R,2R)-norephedrine hydrochloride
Dopke; Schwertner; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 867, View in Reaxys
Hydrochlorid: 13C-NMR (Tab.1)
Patra; Mitra; Mukhopadhyay; Journal of the Indian Chemical Society; vol. 56; nb. 12; (1979); p. 1245 - 1247, View in Reaxys
Hydrochlorid; F: 168-170grad
Mueller et al.; Journal fuer Praktische Chemie (Leipzig); vol. 317; (1975); p. 153,154,155,157,158, View in Reaxys
Hydrochlorid: F: 175-176grad
Hassner,A.; Burke,S.S.; Tetrahedron; vol. 30; (1974); p. 2613 - 2621, View in Reaxys
Sulfat: aus wss. A.-Ae., F: 292grad (Zers., Naturprod.), F: 293grad (Zers., synthet. Praeparat); <α>(D)25 (in W., c=2): +90.0grad (Naturprod.), +40grad (synthet. Praeparat)
Alles,G.A. et al.; Journal of Medicinal and Pharmaceutical Chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys
L-Tartrat: C9H13NO*C4H6 O6; B.: DL-Norpseudoephedrin, wss. D-Weinsaeure; F: 201-202grad (aus W.); <α>(D): -12.0grad (in W.; c = 2)
Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys
D-mandelate (mp: 163.5 degree ; <alpha>=-41.3 degree ); Further Data see Handbook (Solubility)
Jarowski; Hartung; Journal of Organic Chemistry; vol. 8; (1943); p. 564,566, View in Reaxys
Lg-hydrogentartrate (mp: 202 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
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Purification (1) Purification (method) partition with 0.03 M crown ether/ (ClCH2)2 (aq. phase: 0.5 M NaPF6, 0.03 M amin*HCl), 4 deg C
References Prelog, Vladimir; Mutak, Stjepan; Helvetica Chimica Acta; vol. 66; nb. 7; (1983); p. 2274 - 2278, View in Reaxys
Melting Point (6) 1 of 6
Melting Point [°C]
69 - 71
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
Melting Point [°C]
69 - 71
Location
supporting information
Denmark, Scott E.; Ares, Jeffrey J.; Journal of Organic Chemistry; vol. 73; nb. 24; (2008); p. 9647 - 9656, View in Reaxys 3 of 6
Melting Point [°C]
71 - 73
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys 4 of 6
Melting Point [°C]
77.5
Dopke; Schwertner; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 867, View in Reaxys 5 of 6
Melting Point [°C]
75 - 78
Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys 6 of 6
Melting Point [°C]
77.5 - 78
Solvent (Melting Point)
benzene
Kanao; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2553, View in Reaxys Association (MCS) (7) 1 of 7
Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))
dibutyl ether
Temperature (Association (MCS)) [°C]
21
Partner (Association (MCS))
H2O
Tsai, Ruey-Shiuan; Fan, Weizheng; El Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard; Kier, Lemont B.; Journal of the American Chemical Society; vol. 115; nb. 21; (1993); p. 9632 - 9639, View in Reaxys 2 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
Partner (Association (MCS))
(7R,8R)-16-(2,4-Dinitro-phenylazo)-7,8-diphenyl-3,6,9,12-tetraoxa-bicyclo[12.3.1]octadeca-1(17),14(18),15-trien-18-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys 3 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
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Partner (Association (MCS))
(7S,8S)-16-(2,4-Dinitro-phenylazo)-7,8-diphenyl-3,6,9,12-tetraoxa-bicyclo[12.3.1]octadeca-1(17),14(18),15-trien-18-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys 4 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
Partner (Association (MCS))
(10R,11R)-22-(2,4-Dinitro-phenylazo)-10,11-diphenyl-3,6,9,12,15,18-hexaoxa-bicyclo[18.3.1]tetracosa-1(23),20(24),21-trien-24-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys 5 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
Partner (Association (MCS))
(10S,11S)-22-(2,4-Dinitro-phenylazo)-10,11-diphenyl-3,6,9,12,15,18-hexaoxa-bicyclo[18.3.1]tetracosa-1(23),20(24),21-trien-24-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys 6 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
Partner (Association (MCS))
(4R,5R,13R,14R)-19-(2,4-Dinitro-phenylazo)-4,5,13,14-tetraphenyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys 7 of 7
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
ethanol
Partner (Association (MCS))
(4S,5S,13S,14S)-19-(2,4-Dinitro-phenylazo)-4,5,13,14-tetraphenyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
Kaneda, Takahiro; Hirose, Keiji; Misumi, Soichi; Journal of the American Chemical Society; vol. 111; nb. 2; (1989); p. 742 - 743, View in Reaxys Chromatographic Data (3) Chromatographic Location data
References
HPLC (High performance liquid chromatography)
Paragraph 0015
Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys
HPLC (High performance liquid chromatography)
supporting information
Sehl, Torsten; Hailes, Helen C.; Ward, John M.; Menyes, Ulf; Pohl, Martina; Rother, Doerte; Green Chemistry; vol. 16; nb. 6; (2014); p. 3341 - 3348, View in Reaxys
GC (Gas chroma- supporting infortography) mation
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
Crystal Property Description (2) Colour & Other References Properties white
Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 - 5460, View in Reaxys
Prismen
Kanao; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2553, View in Reaxys
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Dissociation Exponent (1) 1 of 1
Type (Dissociation Exponent)
a1/apparent
Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Tayar, Nabil El; Grunewald, Gary L.; Casy, Alan F.; Journal of Chemical Research, Miniprint; nb. 8; (1993); p. 1901 - 1920, View in Reaxys Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium
Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Tayar, Nabil El; Grunewald, Gary L.; Casy, Alan F.; Journal of Chemical Research, Miniprint; nb. 8; (1993); p. 1901 - 1920, View in Reaxys
Further Information (1) Description (Fur- References ther Information) Further information
Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys
Liquid/Liquid Systems (MCS) (2) 1 of 2
Description (Liquid/ Liquid Systems (MCS))
Distribution between solvent 1 + 2
Partner (Liquid/Liquid Systems (MCS))
H2O/octan-1-ol
Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Tayar, Nabil El; Grunewald, Gary L.; Casy, Alan F.; Journal of Chemical Research, Miniprint; nb. 8; (1993); p. 1901 - 1920, View in Reaxys 2 of 2
Description (Liquid/ Liquid Systems (MCS))
Distribution between solvent 1 + 2
Solvent (Liquid/Liquid Systems (MCS))
various solvent(s)
Partner (Liquid/Liquid Systems (MCS))
saccharin
Falk; Matthies; Pharmazie; vol. 45; nb. 3; (1990); p. 191 - 192, View in Reaxys Mutarotation (1) 1 of 1
Type (Mutarotation)
[alpha]
Concentration (Mutarotation)
p=3.5
Solvent (Mutarotation)
ethanol
Mutarotation [deg]
-32.6
Wavelength (Mutarotation) [nm]
589
Temperature (Mutarotation) [°C]
20
Kanao; Chem. Zentralbl.; vol. 100; nb. II; (1929); p. 2553, View in Reaxys Optical Rotatory Power (6) 1 of 6
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1 g/100ml
Solvent (Optical Rotatory Power)
methanol
Optical Rotatory Power [deg]
-31.4
Wavelength (Optical Ro- 589 tatory Power) [nm]
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Temperature (Optical Rotatory Power) [°C]
25
Location
Paragraph 0015
Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 2 of 6
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
3.49 g/100ml
Enantiomeric excess [%ee]
99
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-31.4
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
23
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 6
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
3.49 g/100ml
Length of Path [cm]
10
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-31.4
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
28
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys 4 of 6
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
0.5 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-29.8
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
21
Ishida, Keishi; Matsuda, Hisashi; Okita, Yuji; Murakami, Masahiro; Tetrahedron; vol. 58; nb. 38; (2002); p. 7645 - 7652, View in Reaxys 5 of 6
Type (Optical Rotatory Power)
[alpha]
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Concentration (Optical Rotatory Power)
0.5 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
15.5
Wavelength (Optical Ro- 546 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
21
Dopke; Schwertner; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 867, View in Reaxys 6 of 6
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.2
Solvent (Optical Rotatory Power)
methanol
Optical Rotatory Power [deg]
-30.9
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
26
Kalm,M.J.; Journal of Organic Chemistry; vol. 25; (1960); p. 1929 - 1937, View in Reaxys NMR Spectroscopy (18) 1 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Location
Paragraph 0015
Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 2 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethyl sulfoxide scopy) Frequency (NMR Spectroscopy) [MHz]
125
Location
Paragraph 0015
Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys 3 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Rossi, Sergio; Porta, Riccardo; Brenna, Davide; Puglisi, Alessandra; Benaglia, Maurizio; Angewandte Chemie - International Edition; vol. 56; nb. 15; (2017); p. 4290 - 4294; Angew. Chem.; vol. 129; nb. 15; (2017); p. 4354 4358,5, View in Reaxys 4 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.; Organic Letters; vol. 15; nb. 19; (2013); p. 5126 - 5129, View in Reaxys 5 of 18
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25.64
Frequency (NMR Spectroscopy) [MHz]
500
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 6 of 18
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.04
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 7 of 18
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
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Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys 8 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys 9 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys 10 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
26.85
Frequency (NMR Spectroscopy) [MHz]
600
Ishida, Keishi; Matsuda, Hisashi; Okita, Yuji; Murakami, Masahiro; Tetrahedron; vol. 58; nb. 38; (2002); p. 7645 - 7652, View in Reaxys 11 of 18
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
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 12 of 18
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
270
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Nishimura, Masaaki; Minakata, Satoshi; Takahashi, Toru; Oderaotoshi, Yoji; Komatsu, Mitsuo; Journal of Organic Chemistry; vol. 67; nb. 7; (2002); p. 2101 - 2110, View in Reaxys 13 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
270
Nishimura, Masaaki; Minakata, Satoshi; Takahashi, Toru; Oderaotoshi, Yoji; Komatsu, Mitsuo; Journal of Organic Chemistry; vol. 67; nb. 7; (2002); p. 2101 - 2110, View in Reaxys 14 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
68
Nishimura, Masaaki; Minakata, Satoshi; Takahashi, Toru; Oderaotoshi, Yoji; Komatsu, Mitsuo; Journal of Organic Chemistry; vol. 67; nb. 7; (2002); p. 2101 - 2110, View in Reaxys 15 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys 16 of 18
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys 17 of 18
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Tlahuext, Hugo; Contreras, Rosalinda; Tetrahedron: Asymmetry; vol. 3; nb. 6; (1992); p. 727 - 730, View in Reaxys 18 of 18
Description (NMR Spec- NMR troscopy) Patra; Mitra; Mukhopadhyay; Journal of the Indian Chemical Society; vol. 56; nb. 12; (1979); p. 1245 - 1247, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
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Solvent (IR Spectroscopy)
nujol
Groeper, Jonathan A.; Hitchcock, Shawn R.; Ferrence, Gregory M.; Tetrahedron Asymmetry; vol. 17; nb. 20; (2006); p. 2884 - 2889, View in Reaxys Mass Spectrometry (2) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); spectrum
Paragraph 0015
HRMS (High resolution mass spectrometry); EI (Electron impact); Spectrum
References Patent; China Pharmaceutical University; Kong, Lingyi; Wang, Xiaobing; Xiong, Weicai; (4 pag.); CN106543013; (2017); (A) Chinese, View in Reaxys
Lee, Hyeon-Kyu; Kang, Soyeong; Choi, Eun Bok; Journal of Organic Chemistry; vol. 77; nb. 12; (2012); p. 5454 - 5460, View in Reaxys
Isolation from Natural Product (2) 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) aus Catha edulis
Alles,G.A. et al.; Journal of Medicinal and Pharmaceutical Chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys
Medchem (115) 1 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Substance RN
2207679View in Reaxys
Substance Name
1459295
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 2 of 115
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
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
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Measurement Parameter
Ki
Unit
µM
Quantitative value
274
Measurement pX
3.56
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 3 of 115
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
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Measurement Parameter
IC50
Unit
µM
Quantitative value
668
Measurement pX
3.18
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 4 of 115
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI mongrel dog ID Organs/Tissues
frontal cortex
Cell Fraction
Membrane
Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Measurement Parameter
Ki
Unit
µM
Quantitative value
8
Measurement pX
5.1
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 5 of 115
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
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Measurement Parameter
IC50
Unit
µM
Quantitative value
10
Measurement pX
5
Concomitants: Compound RN
272944; 5963165
Concomitants: Compound name
Phentolamine; [125I]-Clonidine
Concomitants: Compound role
NSB; RAD
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 6 of 115
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
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Measurement Parameter
Ki
Unit
µM
Quantitative value
149
Measurement pX
3.83
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 7 of 115
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
2207679View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Substance Name
(-)-norpseudoephedrine
Measurement Parameter
IC50
Unit
µM
Quantitative value
187
Measurement pX
3.73
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 8 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
16
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 9 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Unit
mmHg
Quantitative value
21
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 10 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
18
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 11 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
19
Concomitants: Compound RN
3754950
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Concomitants: Compound name
Proparacaine HCL
Concomitants: Compound role
ANA
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 12 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
20
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 13 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
22
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
18/56
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14 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
21
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 15 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
23
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 16 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID
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19/56
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Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 17 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 18 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
20/56
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19 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 20 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 21 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Unit
mm
Measurement Object
Diameter
Quantitative value
9
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 22 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 23 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 24 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2.50000 mg/kg
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
22/56
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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
40
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 25 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
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
68
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 26 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
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
3.9
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 27 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
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23/56
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Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
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
10
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 28 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2.50000 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
% Max
Unit
%
Measurement Object
Stimulation (Horizontal activity)
Quantitative value
62
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 29 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Spontaneous activity
Biological Species/NCBI Swiss Webster mouse ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Quantitative value
51.1
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 30 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
17
Deviation
1
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 31 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
15
Deviation
0.500000
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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32 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
17
Deviation
1.50000
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 33 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
18
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 34 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
26/56
2017-11-08 16:50:13
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
21
Deviation
1.60000
Concomitants: Compound RN
3754950
Concomitants: Compound name
Proparacaine HCL
Concomitants: Compound role
ANA
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 35 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
18
Deviation
1.10000
Concomitants: Compound RN
3754950
Concomitants: Compound name
Proparacaine HCL
Concomitants: Compound role
ANA
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 36 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
27/56
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Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
18
Deviation
1
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 37 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Intraocular pressure
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Pressure
Unit
mmHg
Quantitative value
18
Deviation
1.40000
Concomitants: Compound RN
3754950
Concomitants: Compound name
Proparacaine HCL
Concomitants: Compound role
ANA
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 38 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Deviation
0.200000
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 39 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Deviation
0.400000
Statistical sgnificance (p-value)
0.05
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 40 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Quantitative value
6
Deviation
0.200000
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 41 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Deviation
0.400000
Statistical sgnificance (p-value)
0.05
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 42 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Deviation
0.200000
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 43 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2017-11-08 16:50:13
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
9
Deviation
0.400000
Statistical sgnificance (p-value)
0.05
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 44 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
1%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Measurement Object
Diameter
Quantitative value
6
Deviation
0.200000
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 45 of 115
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Mydriasis
Biological Species/NCBI New Zealand White (rabbit) ID Substance RN
2207679View in Reaxys
Substance Name
(-)-norpseudoephedrine
Substance Dose
2%
Substance Route of Adm.
topical administration
Substance Dosing Regi- Single men Measurement Parameter
Length
Unit
mm
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2017-11-08 16:50:13
Measurement Object
Diameter
Quantitative value
9
Deviation
0.400000
Statistical sgnificance (p-value)
0.05
Patent; Booth, Anthony; Caffrey, James L.; US2003/105332; (2003); (A1) English, View in Reaxys 46 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |receptor; binding activity Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; positive control: methylphenidate <3H>DA uptake assay; synaptosomes incubated with <3H>DA and title comp. for 15 min at 25 deg C in the presence of blocker; rapid filtration; radioactivity determined in beta counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
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 47 of 115
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
2207679View in Reaxys
Substance Name
1459295
Substance Dose
1 nM
Qualitative Results
title comp. did not inhibit <3H>NE 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 48 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |receptor; binding activity Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; 5-HT: 5-hydroxytryptamine; blockers: nomifensine, GBR12935 <3H>5-HT uptake assay; synaptosomes incubated with <3H>5-HT and title comp. for 30 min at 25 deg C in the presence of blocker; rapid filtration; radioactivity determined in beta counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
Substance Dose
1 nM
Qualitative Results
title comp. did not inhibit <3H>5-HT uptake
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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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 49 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; MPP(+): 1-methyl-4-phenylpyridinium; GBR12909: DA transporter blocker substrate reversal experiment for DA release assay; synaptosomes incubated with <3H>MPP(+) with or without GBR12909 and title comp.; rapid filtration; radioactivity determined by liquid scintillation counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
Substance Dose
600 nM
Qualitative Results
significant reversal of DA releasing effect of title comp. was observed, proving that title comp. acted as substrate at DA transporter (diagram)
Measurement Parameter
Qualitative
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 50 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; 5-HT: 5-hydroxytryptamine; blockers: GBR12935, nomifensine 5-HT release assay; synaptosomes incubated with 5 nmol/l <3H>5-HT for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 5 min; rapid filtration; radioactivity determined by liquid scintillation counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
Measurement Parameter
Qualitative
Qualitative value
NA
Measurement pX
1
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 51 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : caudate was used for synaptosomal preparation; DA: dopamine; MPP(+): 1-methyl-4-phenylpyridinium; blockers: desipramine, citalopram DA release assay; synaptosomes incubated with 5 nmol/l <3H>MPP(+) for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 30 min; rapid filtration; radioactivity determined by liquid scintillation counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
Measurement Parameter
EC50
Unit
nM
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2017-11-08 16:50:13
Quantitative value
294
Measurement pX
6.53
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 52 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |transmitter releasing Target : Sprague-Dawley rat brain synaptosomesBioassay : whole brain minus cerebellum and caudate was used for synaptosomal preparation; NE: norepinephrine; MPP(+): 1-methyl-4-phenylpyridinium; blockers: GBR12935, citalopram NE release assay; synaptosomes incubated with 5 nmol/l <3H>MPP(+) for 60 min with stirring at 25 deg C with blockers; title comp. added and further incubated for 30 min; rapid filtration; radioactivity determined by liquid scintillation counter
Substance RN
2207679View in Reaxys
Substance Name
1459295
Measurement Parameter
EC50
Unit
nM
Quantitative value
30.1
Measurement pX
7.52
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 53 of 115
Target Name
Phenylethanolamine N-methyltransferase [taurine cattle]
Target Synonyms
noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase
Target Uniprot ID
p10938
Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
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
54 of 115
Substance RN
2207679View in Reaxys
Measurement Parameter
Ki
Unit
µM
Measurement Object
Binding affinity of compound towards adrenal Phenylethanolamine N-Methyltransferase of bovine
Qualitative value
=
Quantitative value
2440
Deviation
140
Measurement pX
2.61
Target Name
sodium-dependent dopamine transporter [rattus norvegicus]
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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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
55 of 115
Substance RN
2207679View in Reaxys
Measurement Parameter
EC50
Unit
nM
Measurement Object
Release of Norepinephrine transporter from rat brain synaptosomes
Qualitative value
=
Quantitative value
30.1
Deviation
2.2
Measurement pX
7.52
Concomitants: Compound name
[3H]MPP
Concomitants: Compound role
RAD
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
2207679View in Reaxys
Measurement Parameter
EC50
Unit
nM
Measurement Object
Eelease of Dopamine transporter from rat brain synaptosomes
Qualitative value
=
Quantitative value
294
Deviation
8
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2017-11-08 16:50:13
56 of 115
Measurement pX
6.53
Concomitants: Compound name
[3H]MPP
Concomitants: Compound role
RAD
Target Name
Sodium-dependent serotonin transporter [Rattus norvegicus]
Target Synonyms
5ht transporter; 5htt; slc6a4; sodium-dependent serotonin transporter; solute carrier family 6 member 4
Target Uniprot ID
p31652
Target, Subunit, Species Sodium-dependent serotonin transporter [Rattus norvegicus] Target Mutant/Chimera Details
Sodium-dependent serotonin transporter [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Effective concentration of the compound required for release of Serotonin transporter from rat brain synaptosomes; Inactive
Biological Species/NCBI Rattus norvegicus ID
57 of 115
Substance RN
2207679View in Reaxys
Qualitative Results
Inactive
Measurement Parameter
EC50
Measurement Object
Effective concentration
Qualitative value
NA
Measurement pX
1
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 3 hours after treatment of compound at a dose of 2; untreated eye = 9 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
9
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 58 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 5 hours after treatment of compound at a dose of 2; untreated eye = 9 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
9
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 59 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye half hour before treatment of compound at a dose of 2; untreated eye = 19 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
16
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 60 of 115
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
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
0.87
Measurement pX
9.06
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 61 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 1 hour after treatment of compound at a dose of 2; untreated eye = 9 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2017-11-08 16:50:13
Quantitative value
9
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 62 of 115
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
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Number of high affinity binding sites of dog alpha-2 adrenergic receptor determined by Scatchard analysis
Substance RN
2207679View 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 63 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye half hour before treatment of compound at a dose of 1; untreated eye = 21 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
19
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 64 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 3 hours after treatment of compound at a dose of 2; untreated eye = 22 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
20
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 65 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Mydriatic response in rabbit eye after treatment of compound at a dose of 1; Range = 2-4 mm change, untreated eye = 0-2 mm change
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Mydriatic response
Qualitative value
=
Quantitative value
4
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 66 of 115
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
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
2207679View 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 67 of 115
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
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
2207679View 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 68 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 5 hours after treatment of compound at a dose of 1; untreated eye = 17 mmHg
Biological Species/NCBI rabbit ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
17
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 69 of 115
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
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
3.01
Measurement pX
8.52
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 70 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Mydriatic response in rabbit eye after treatment of compound at a dose of 2; Range = 2-4 mm change, untreated eye = 2-4 mm change
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Mydriatic response in rabbit eye
Qualitative value
=
Quantitative value
4
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 71 of 115
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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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
2207679View in Reaxys
Measurement Parameter
IC50
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 72 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 1 hour after treatment of compound at a dose of 1; untreated eye = 8 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
8
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 73 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 1 hour after treatment of compound at a dose of 2; untreated eye = 23 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
20
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 74 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 5 hours after treatment of compound at a dose of 2; untreated eye = 24 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Qualitative value
=
Quantitative value
21
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 75 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 3 hours after treatment of compound at a dose of 1; untreated eye = 8 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
8
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 76 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 5 hours after treatment of compound at a dose of 1; untreated eye = 8 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
8
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 77 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 3 hours after treatment of compound at a dose of 1; untreated eye = 18 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
18
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 78 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye half hour after treatment of compound at a dose of 2; untreated eye = 22 mmHg
Biological Species/NCBI rabbit ID
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2017-11-08 16:50:13
Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
18
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 79 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye half hour after treatment of compound at a dose of 1; untreated eye = 24 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
19
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 80 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye half hour after treatment of compound at a dose of 1; untreated eye = 8 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
8
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 81 of 115
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
Substance Action on Target
Radioligand (/ligand)
Substance Effect
binding activity
Bioassay Category
In Vitro (Efficacy)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
0.15
Measurement pX
9.82
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 82 of 115
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
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
2207679View 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 83 of 115
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
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 Scatchard analysis
Substance RN
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
0.15
Measurement pX
9.82
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 84 of 115
Target Name
Alpha 1 adrenergic receptor [dog]
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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
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
2207679View in Reaxys
Measurement Parameter
IC50
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 85 of 115
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
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
2207679View 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 86 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
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
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
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2017-11-08 16:50:13
Quantitative value
6
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 87 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye half hour before treatment of compound at a dose of 2; untreated eye = 6 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
6
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 88 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye 1 hour before treatment of compound at a dose of 1; untreated eye = 6 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
6
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 89 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 1 hour after treatment of compound at a dose of 1; untreated eye = 19 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
18
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 90 of 115
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
46/56
2017-11-08 16:50:13
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
2207679View 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 91 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye half hour before treatment of compound at a dose of 1; untreated eye = 6 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
6
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 92 of 115
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
2207679View 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 93 of 115
Target Name
Beta-2 adrenergic receptor [dog]
Target Synonyms
adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor
Target Uniprot ID
p54833
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
47/56
2017-11-08 16:50:13
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
2207679View in Reaxys
Measurement Parameter
Qualitative
Measurement Object
Ki
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 94 of 115
Target Name
Beta-2 adrenergic receptor [dog]
Target Synonyms
adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor
Target Uniprot ID
p54833
Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details
Beta-2 adrenergic receptor [dog]:Wild
Target Species (Bioactivity)
dog
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Number of binding sites (summary) of dog beta-2 adrenergic receptor determined by saturation analysis
Substance RN
2207679View 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 95 of 115
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
2207679View in Reaxys
Measurement Parameter
Qualitative
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
48/56
2017-11-08 16:50:13
Measurement Object
Bmax
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 96 of 115
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
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
2207679View in Reaxys
Measurement Parameter
Qualitative
Measurement Object
Ki
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 97 of 115
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
2207679View 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 98 of 115
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
49/56
2017-11-08 16:50:13
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
2207679View 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 99 of 115
Target Name
Beta-2 adrenergic receptor [dog]
Target Synonyms
adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor
Target Uniprot ID
p54833
Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details
Beta-2 adrenergic receptor [dog]:Wild
Target Species (Bioactivity)
dog
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Apparent equilibrium dissociation constant (run 2) of the compound towards dog beta-2 adrenergic receptor using 125ICYP as radioligand incubated for 110 min at 30 degree C determined by saturation analysis
Substance RN
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Quantitative value
9.3
Measurement pX
11
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 100 of 115
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
50/56
2017-11-08 16:50:13
Quantitative value
9.5
Measurement pX
11
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 101 of 115
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 Scatchard analysis
Substance RN
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Quantitative value
8.9
Measurement pX
11.1
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 102 of 115
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Quantitative value
9.9
Measurement pX
11
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 103 of 115
Target Name
Beta-2 adrenergic receptor [dog]
Target Synonyms
adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor
Target Uniprot ID
p54833
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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
2207679View 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 104 of 115
Target Name
Beta-2 adrenergic receptor [dog]
Target Synonyms
adrb2; beta-2 adrenergic receptor; beta-2 adrenoceptor; beta-2 adrenoreceptor
Target Uniprot ID
p54833
Target, Subunit, Species Beta-2 adrenergic receptor [dog] Target Mutant/Chimera Details
Beta-2 adrenergic receptor [dog]:Wild
Target Species (Bioactivity)
dog
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Number of binding sites (run 2) of dog beta-2 adrenergic receptor determined by saturation analysis
Substance RN
2207679View 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 105 of 115
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
2207679View in Reaxys
Measurement Parameter
IC50
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Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 106 of 115
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Quantitative value
9.6
Measurement pX
11
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 107 of 115
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
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Number of binding sites of dog alpha-1 adrenergic receptor determined by saturation analysis
Substance RN
2207679View 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 108 of 115
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
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Substance Action on Target
Radioligand (/ligand)
Substance Effect
binding activity
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 scatchard analysis
Substance RN
2207679View in Reaxys
Measurement Parameter
Kd
Unit
pM
Qualitative value
=
Quantitative value
7.8
Measurement pX
11.1
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 109 of 115
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
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Number of binding sites of dog alpha-1 adrenergic receptor determined by Scatchard analysis
Substance RN
2207679View 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 110 of 115
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
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
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
0.73
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Measurement pX
9.14
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 111 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 1 hour before treatment of compound at a dose of 2; untreated eye = 18 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
19
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 112 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intraocular pressure in rabbit eye 1 hour before treatment of compound at a dose of 1; untreated eye = 20 mmHg
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Pressure
Unit
mmHg
Measurement Object
Intraocular pressure
Qualitative value
=
Quantitative value
18
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 113 of 115
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
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 Scatchard analysis
Substance RN
2207679View in Reaxys
Measurement Parameter
Kd
Unit
nM
Qualitative value
=
Quantitative value
0.84
Measurement pX
9.08
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys
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114 of 115
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Pupil diameter of rabbit eye half hour after treatment of compound at a dose of 2; untreated eye = 9 mm
Biological Species/NCBI rabbit ID Substance RN
2207679View in Reaxys
Measurement Parameter
Activity
Unit
mM
Measurement Object
Pupil diameter
Qualitative value
=
Quantitative value
9
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys 115 of 115
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
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
2207679View in Reaxys
Measurement Parameter
Qualitative
Measurement Object
Ki
Qualitative value
Not Published
Patent; BOOTH Anthony; CAFFREY James L; US2004/73043; (A1); (2004), View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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