ChemicalBook--->CAS DataBase List--->1675201-90-7

1675201-90-7

1675201-90-7 Structure

1675201-90-7 Structure
IdentificationBack Directory
[Name]

BMS-8
[CAS]

1675201-90-7
[Synonyms]

BMS-8
2-Piperidinecarboxylic acid, 1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-
[Molecular Formula]

C27H28BrNO3
[MDL Number]

MFCD31714164
[MOL File]

1675201-90-7.mol
[Molecular Weight]

494.42
Chemical PropertiesBack Directory
[Boiling point ]

616.9±55.0 °C(Predicted)
[density ]

1.334±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Methanol: slightly soluble
[form ]

A crystalline solid
[pka]

2.35±0.20(Predicted)
[color ]

White to off-white
[InChIKey]

QRXBPPWUGITQLE-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=C(OCC3C=CC=C(C4=CC=CC=C4)C=3C)C(Br)=C2)CCCCC1C(O)=O
Hazard InformationBack Directory
[Description]

BMS-8 is a small molecule inhibitor of the protein-protein 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.
[Uses]

BMS-8 is inhibitor of the PD-1/PD-L1 interaction by inducing PD-L1 dimerization through PD-1 interacting surface, binding at a hydrophobic cavity formed upon PD-L1 dimerization.
[References]

[1] KATARZYNA GUZIK. Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1[J]. Journal of Medicinal Chemistry, 2017, 60 13: 5857-5867. DOI: 10.1021/acs.jmedchem.7b00293
Spectrum DetailBack Directory
[Spectrum Detail]

BMS-8(1675201-90-7)1HNMR
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