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Chemical structure of ABD459

GC42674

ABD459

Also known as [5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-(4-methoxyphenyl)methanone

ABD459 is a neutral antagonist of the central cannabinoid 1 (CB1) receptor (Ki = 8·6 nM)

ChemicalCAS1047670-51-8MW516.2FormulaC24H17BrCl2N2O2
CAS number
1047670-51-8
Molecular weight
516.2
Formula
C24H17BrCl2N2O2
Solubility
DMF： 3 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·33 mg/ml
InChIKey
ZUDJJNLJDWKCNV-UHFFFAOYSA-N
Catalogue number
GC42674
Brand
GLPBIO
Computed properties PubChem CID 25003055 · XLogP 7.5 · TPSA 44.1 Ų · H-bond donors 0
XLogP
7.5
TPSA
44.1 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31

SMILES CC1=C(N(N=C1C(=O)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br

Computed descriptors from PubChem (CID 25003055), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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