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| IUPAC Name: | N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide |
| Description: | BMS-813160 is an effective and selective CCR2/CCR5 antagonist with potential immunomodulatory and anti-tumor activities. It inhibits the activation of CCR2/CCR5 mediated signal transduction pathways, and may inhibit the inflammatory process, angiogenesis, tumor cell migration, tumor cell proliferation and invasion. |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C25H40N8O2 |
| Canonical SMILES: | CC(=O)NC1CC(CCC1N2CCC(C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C |
| InChI: | InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1 |
| InChI Key: | CMVHFGNTABZQJU-HCXYKTFWSA-N |
| Density: | 1.31±0.1 g/cm3(Predicted) |
| Solubility: | Soluble in DMSO |
| Storage: | Store at -20 °C |
| LogP: | 3.04120 |
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