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Chemical structure of BMS641

GC68781

BMS641

Also known as 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid

BMS641 (BMS-209641) is a selective RARβ agonist· BMS641 has 100 times higher affinity for RARβ (Kd, 2·5 nM) than for RARα (Kd, 225 nM) or RARγ (Kd, 223 nM)

ChemicalCAS369364-50-1MW414.92FormulaC27H23ClO2
CAS number
369364-50-1
Molecular weight
414.92
Formula
C27H23ClO2
Solubility
DMSO ： 8·33 mg/mL (20·08 mM; Need ultrasonic)
InChIKey
FRTYVAKGTFXRNY-CSKARUKUSA-N
Catalogue number
GC68781
Brand
GLPBIO
Computed properties PubChem CID 22737393 · XLogP 7.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
7.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
30

SMILES CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=C(C=C(C=C3)C(=O)O)Cl)C4=CC=CC=C4)C

Computed descriptors from PubChem (CID 22737393), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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