A dual antagonist of CCR2 and CCR5
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BMS 813160

Item No. 28421

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal 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
CAS Number
1286279-29-5
Molecular Formula
C25H40N8O2
Formula Weight
484.6
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMSO: soluble
λmax
212, 272 nm
SMILES
CC(C)(C)C1=NN2C(N=CN=C2N[C@H]3CCN([C@]4([H])[C@H](NC(C)=O)C[C@H](NC(C)(C)C)CC4)C3=O)=C1
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
InChi Key
CMVHFGNTABZQJU-HCXYKTFWSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Cayman Chemical
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    Product Description

    BMS 813160 is a dual antagonist of chemokine receptor 2 (CCR2) and CCR5 (IC50s = 6.2 and 3.6 nM, respectively, in radioligand binding assays).1,2 It inhibits chemotaxis induced by the CCR2 ligand MCP-1 in THP-1 cells the CCR5 ligand MIP-1β in isolated peripheral T cells with IC50 values of 0.8 and 1.1 nM, respectively.1 BMS 813160 inhibits peritoneal monocyte and macrophage infiltration in an hCCR-2 KI mouse model of thioglycolate-induced peritonitis, with 54% inhibition when administered at a dose of 50 mg/kg twice per day.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Carter, P.H., Cherney, R.J., Rosso, V.W., et al. N-((1r,2s,5r)-5-(tert-butylamino)-2-((s)-3-(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-ylamino)-2-oxopyrrolidin-1-yl)cyclohexyl)acetamide, a dual modulator of chemokine receptor activity, crystalline forms and processes. (2011).

    2. Norman, P. A dual CCR2/CCR5 chemokine antagonist, BMS-813160? Evaluation of WO2011046916. Expert. Opin. Ther. Pat. 21(12), 1919-1924 (2011).