For research use only. Not for therapeutic Use.
BMS-817399 is a potent, selective, and orally bioavailable CCR1 antagonist. BMS-817399 exhibits CCR1 binding affinity and chemotaxis inhibition potencies of 1 and 6 nM (IC50), respectively. BMS-817399 can be used for the research of rheumatoid arthritis[1].
In addition to MIP-1α (CCL3), BMS-817399 potently inhibits chemotaxis induced by other CCR1 ligands[1].
| Catalog Number | I023537 |
| CAS Number | 1202400-18-7 |
| Synonyms | 1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea |
| Molecular Formula | C23H36ClN3O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 |
| InChIKey | GTDPZONCGOCXOD-JPYJTQIMSA-N |
| SMILES | CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)NCC(C)(C)O |
| Reference | [1]. Santella JB 3rd, et al. Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. J Med Chem. 2014;57(18):7550-7564. |
