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Chemical structure of LY 2955303 dihydrochloride

GB40268

LY 2955303 dihydrochloride

Also known as 4-[5-(3,5-ditert-butylphenyl)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoic acid;dihydrochloride

Potent and selective retinoic acid receptor gamma (RARγ) antagonist (Ki values >1700 nM, >2980 nM, and 1·1 nM for RARα, RARβ, and RARγ, respectively) for the treatment of osteoarthritis joint pain

ChemicalCAS2469014-43-3MW651.67FormulaC36H42N4O3·2HCl
CAS number
2469014-43-3
Molecular weight
651.67
Formula
C36H42N4O3·2HCl
InChIKey
ZPIGNDDTRHLVIS-UHFFFAOYSA-N
Catalogue number
GB40268
Brand
GLPBIO
Computed properties PubChem CID 134824562 · TPSA 78.7 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
78.7 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45

SMILES CC(C)(C)C1=CC(=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCN(CC4)C)C5=CC=C(C=C5)C(=O)O)C(C)(C)C.Cl.Cl

Computed descriptors from PubChem (CID 134824562), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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