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Chemical structure of CP-945598 HCl

GC17205

CP-945598 HCl

Also known as 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide;hydrochloride

CP-945598 HCl is a potent and selective cannabinoid receptor CB1 antagonist with Ki of 0·7 nM, exhibits 10,000-fold greater selectivity against human CB2 receptor

ChemicalCAS686347-12-6MW546.88FormulaC25H25Cl2N7O·HCl
CAS number
686347-12-6
Molecular weight
546.88
Formula
C25H25Cl2N7O·HCl
Solubility
≥ 27·35mg/mL in DMSO with gentle warming
InChIKey
KPYUQCJBZGQHPL-UHFFFAOYSA-N
Catalogue number
GC17205
Brand
GLPBIO
Computed properties PubChem CID 16223963 · TPSA 102 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
102 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

SMILES CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N.Cl

Computed descriptors from PubChem (CID 16223963), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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