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MedKoo CAT#: 407861
CAS#: 1286279-29-5
Description: BMS-813160 is a potent and selective CCR2/CCR5 antagonist with potential immunomodulating and antineoplastic activities. BMS-813160 specifically binds and prevents the activation of both CCR2 and CCR5. This inhibits the activation of CCR2/CCR5-mediated signal transduction pathways and may inhibit inflammatory processes, angiogenesis, tumor cell migration, tumor cell proliferation and invasion.
MedKoo Cat#: 407861
Name: BMS-813160
CAS#: 1286279-29-5
Chemical Formula: C25H40N8O2
Exact Mass: 484.3274
Molecular Weight: 484.649
Elemental Analysis: C, 61.96; H, 8.32; N, 23.12; O, 6.60
Synonym: BMS-813160; BMS813160; BMS 813160;
IUPAC/Chemical Name: N-[(1R,2S,5R)-5-[(1,1-Dimethylethyl)amino]-2-[(3S)-3-[[7-(1,1-dimethylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]-2-oxo-1-pyrrolidinyl]cyclohexyl]acetamide
InChi Key: CMVHFGNTABZQJU-HCXYKTFWSA-N
InChi Code: 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
SMILES Code: CC(N[C@H]1[C@@H](N2C([C@@H](NC3=NC=NC4=CC(C(C)(C)C)=NN43)CC2)=O)CC[C@@H](NC(C)(C)C)C1)=O
The G-protein coupled chemokine receptors CCR2 and CCR5 are expressed on the surface of monocytes and macrophages, and stimulate their migration and infiltration; they play key roles in inflammation and autoimmune disease. CCR2 and CCR5 are overexpressed in certain cancer cell types, and are also involved in angiogenesis, and in tumor cell migration, proliferation and metastasis.
1: Norman P. A dual CCR2/CCR5 chemokine antagonist, BMS-813160? Evaluation of
WO2011046916. Expert Opin Ther Pat. 2011 Dec;21(12):1919-24. doi:
10.1517/13543776.2011.622750. Epub 2011 Sep 22. Review. PubMed PMID: 21936726.
