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CAS No.: | 192703-06-3 |
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Name: | SR 144528 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C29H34ClN3O |
Molecular Weight: | 475.24 |
Synonyms: | 5-(4-Chloro-3-methyl-phenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl]pyrazole-3-carboxamide;1H-Pyrazole-3-carboxamide,5-(4-chloro-3- methylphenyl)-1-[(4-methylphenyl)methyl]-N- [(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept- 2-yl]-;1H-Pyrazole-3-carboxamide, 5-(4-chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-, (1S-endo)-;(1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide;5-(4-Chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-(1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide; |
Density: | 1.222 g/cm3 |
Boiling Point: | 627.699 °C at 760 mmHg |
Flash Point: | 333.42 °C |
PSA: | 46.92000 |
LogP: | 7.20410 |
The 5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide (1S-endo)-, with the CAS registry number 192703-06-3, is also known as 5-(4-Chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide. This chemical's molecular formula is C29H34ClN3O and molecular weight is 475.24. What's more, its IUPAC name is called 5-(4-Chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide. The production is a drug which acts as a potent and highly selective CB2 receptor inverse agonist. It is used in scientific research for investigating the function of the CB2 receptor, as well as for studying the effects of CB1 receptors in isolation, as few CB1 agonists are available which do not also show significant activity as CB2 agonists. It has also been found to be an inhibitor of acyl-coenzymeA: cholesterol acyltransferase, an effect that appears to be independent from its action on CB2 receptors.
Physical properties about 5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide (1S-endo)- are: (1)ACD/LogP: 10.165; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.17; (4)ACD/LogD (pH 7.4): 10.17; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 8071793.00; (8)ACD/KOC (pH 7.4): 8070889.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.92 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 139.111 cm3; (15)Molar Volume: 389.57 cm3; (16)Surface Tension: 43.49 dyne/cm; (17)Density: 1.222 g/cm3; (18)Flash Point: 333.42 °C; (19)Enthalpy of Vaporization: 92.891 kJ/mol; (20)Boiling Point: 627.699 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc5ccc(c1cc(nn1Cc2ccc(cc2)C)C(=O)N[C@H]4[C@@]3(C)CC[C@H](C3)C4(C)C)cc5C
(2) InChI: InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1
(3) InChIKey: SUGVYNSRNKFXQM-XRHWURSXSA-N