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SR 144528

CAT: 0926-BS179309-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-BS179309-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192703-06-3
Smiles
CC1=CC=C (CN2C (C3=CC (C) =C (Cl) C=C3) =CC (C (N[C@H]4[C@@]5 (C) CC[C@@H] (C4 (C) C) C5) =O) =N2) C=C1
Molecular Formula
C29H34CIN3O
Molecular Weight
476.05 g/mol
Controlled
Yes

Chemical Information

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

SR 144528 is a secondary carboxamide resulting from the formal condensation of the carboxy group of 5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylic acid with the amino group of (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine. A potent and selective cannabinoid receptor type 2 (CB2 receptor) inverse agonist (Ki = 0.6 nM). It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor and a CB2 receptor antagonist. It is a secondary carboxamide, a member of pyrazoles, a bridged compound and a member of monochlorobenzenes.

CAS Number192703-06-3
PubChem CID3081355
IUPAC Name5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
Molecular FormulaC29H34ClN3O
Molecular Weight476.1
XLogP7.4
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity750
SMILES
CC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)N[C@H]3[C@]4(CC[C@H](C4)C3(C)C)C)C5=CC(=C(C=C5)Cl)C
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
InChIKey
SUGVYNSRNKFXQM-XRHWURSXSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 192703-06-3
CID: 3081355
Formula: C29H34ClN3O
MW: 476.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight476.1
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass475.2390404
Monoisotopic Mass475.2390404
Topological Polar Surface Area46.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes