1675201-90-7

1675201-90-7 structure

Name: BMS-8
Chemical Name: BMS-8
CAS Number: 1675201-90-7
Molecular Formula: C₂₇H₂₈BrNO₃
Molecular Weight: 494.420
Catalog: Signaling Pathways Immunology/Inflammation PD-1/PD-L1
Create Date: 2021-06-17 16:45:31
Modify Date: 2024-01-11 16:35:51
BMS-8 inhibits the PD-1/PD-L1 interaction with IC50 of 7.2 μM. BMS-8, binds directly to PD-L1 and induces formation of PD-L1 homodimers, which in turn prevents the interaction with PD-1[1].

Name	BMS-8
Synonyms	BMS-8 1-{3-Bromo-4-[(2-methyl-3-biphenylyl)methoxy]benzyl}-2-piperidinecarboxylic acid 2-Piperidinecarboxylic acid, 1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-

Description	BMS-8 inhibits the PD-1/PD-L1 interaction with IC50 of 7.2 μM. BMS-8, binds directly to PD-L1 and induces formation of PD-L1 homodimers, which in turn prevents the interaction with PD-1[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> PD-1/PD-L1
In Vitro	BMS-8 tends to have a more stable binding mode with one PD-L1 monomer than the other and the small-molecule inducing PD-L1 dimerization was further stabilized by the non-polar interaction of Ile54, Tyr56, Met115, Ala121, and Tyr123 on both monomers and the water bridges involved in ALys124[2].
References	[1]. Eun-Hye Kim, et al. Preparation of Biphenyl-Conjugated Bromotyrosine for Inhibition of PD-1/PD-L1 Immune Checkpoint Interactions. Int J Mol Sci. 2020 May 21;21(10):3639. [2]. Danfeng Shi, et al. Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship. Front Chem. 2019 Nov 12;7:764.