BMS-8|CAS 1675201-90-7|DC Chemicals

Cas No.:	1675201-90-7
Chemical Name:	1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-2-piperidinecarboxylic acid
Synonyms:	BMS8; BMS 8; BMS-8
SMILES:	CC1=C(COC2=CC=C(CN3CCCCC3C(O)=O)C=C2Br)C=CC=C1C4=CC=CC=C4
Formula:	C₂₇H₂₈BrNO₃
M.Wt:	494.42
Purity:	>98%
Sotrage:	0°C (short term), -20°C (long term), desiccated

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].
Target:	PD1/PDL1
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.

Cat. No.	Product name	Field of application
DC42714	BMS-8	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].