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Chemical structure of BMS-332

GC73267

BMS-332

Also known as 8-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

BMS-332 is adualDGKα/ζlipid kinase inhibitor, with theIC50of 0·005 (DGKα) and 0·001 μM (DGKζ)

ChemicalCAS2407892-15-1MW499.55FormulaC29H27F2N5O
CAS number
2407892-15-1
Molecular weight
499.55
Formula
C29H27F2N5O
Solubility
DMSO ： 14·29 mg/mL (28·61 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XKXKEJGUONTNBW-RBUKOAKNSA-N
Catalogue number
GC73267
Brand
GLPBIO
Computed properties PubChem CID 146466537 · XLogP 4.4 · TPSA 63.5 Ų · H-bond donors 0
XLogP
4.4
TPSA
63.5 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
37

SMILES C[C@@H]1CN([C@H](CN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C)C4=CC(=O)N(C5=C4N=C(C=C5)C#N)C

Computed descriptors from PubChem (CID 146466537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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