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Chemical structure of BMS-8

GC42957

BMS-8

Also known as 1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid

BMS-8 is a small molecule inhibitor of the interaction between programmed death protein 1 (PD-1) and its ligand programmed cell death ligand 1 (PD-L1) with an IC50 value of 146 nM in a homogeneous time-resolved fluorescence (HTRF) binding assay

ChemicalCAS1675201-90-7MW494.4FormulaC27H28BrNO3
CAS number
1675201-90-7
Molecular weight
494.4
Formula
C27H28BrNO3
Solubility
Methanol： slightly soluble
InChIKey
QRXBPPWUGITQLE-UHFFFAOYSA-N
Catalogue number
GC42957
Brand
GLPBIO
Computed properties PubChem CID 117941742 · XLogP 4.1 · TPSA 49.8 Ų · H-bond donors 1
XLogP
4.1
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32

SMILES CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C=C3)CN4CCCCC4C(=O)O)Br

Computed descriptors from PubChem (CID 117941742), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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