For research use only, not for therapeutic use.
BMS-1166 (Cat No.:I019772) is a novel and potent PD-1/PD-L1 interaction inhibitor with IC50 of 1.4 nM. BMS-1166 has low toxicity to the tested cell lines and prevents the interaction of soluble PD-L1 with the PD-1 receptor expressed on the cell surface. BMS-1166 attenuates the inhibitory effect of PD-L1 on T cell receptor-mediated activation of T lymphocytes.
| Catalog Number | I019772 |
| CAS Number | 1818314-88-3 |
| Molecular Formula | C₃₆H₃₃ClN₂O₇ |
| Purity | ≥95% |
| Storage | Store at -20°C |
| IUPAC Name | (2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1 |
| InChIKey | QBXVXKRWOVBUDB-GRKNLSHJSA-N |
| SMILES | CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C(=C4)OCC5=CC(=CC=C5)C#N)CN6CC(CC6C(=O)O)O)Cl |
| Reference | [1]. Guzik K, et al. 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 Med Chem. 2017 Jul 13;60(13):5857-5867.<br>[2]. Skalniak L, et al. Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget. 2017 Aug 7;8(42):72167-72181. |
