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CAY10508

CAT: 0013-GTR19232823-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232823-02Size:10 mg
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Description
CAY10508 is a potent and selective CB1 receptor inverse agonist (Ki=243 nM) with demonstrated efficacy in displacing cannabinoid ligands in vitro. Its therapeutic potential for obesity and substance dependence, devoid of psychotropic effects, is supported by in vivo studies in animal models.
CAS Number
878533-35-8
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1C (N (C (=O) N1C2=CC=C (Br) C=C2) C3=CC=C (Br) C=C3) C4=CC=CC=C4
Molecular Formula
C21H14Br2N2O2
Molecular Weight
486.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione

a CB1 receptor inverse agonist/antagonist; structure in first source

CAS Number878533-35-8
PubChem CID11851013
IUPAC Name1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
Molecular FormulaC21H14Br2N2O2
Molecular Weight486.2
XLogP5.5
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity550
SMILES
C1=CC=C(C=C1)C2C(=O)N(C(=O)N2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,19H
InChIKey
ROASQEPZAKGACK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CAS: 878533-35-8
CID: 11851013
Formula: C21H14Br2N2O2
MW: 486.2
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight486.2
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass485.94015
Monoisotopic Mass483.94220
Topological Polar Surface Area40.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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