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| 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. |
MSDS
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| MSDS_26343_DC42714_1675201-90-7 |
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COA
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