| Identification | Back Directory | [Name]
BMS813160 | [CAS]
1286279-29-5 | [Synonyms]
CS-2742
BMS813160
BMS-813160;BMS813160;BMS 813160
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
Acetamide, 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]- | [Molecular Formula]
C25H40N8O2 | [MDL Number]
MFCD31540731 | [MOL File]
1286279-29-5.mol | [Molecular Weight]
484.64 |
| Chemical Properties | Back Directory | [density ]
1.31±0.1 g/cm3(Predicted) | [storage temp. ]
4°C, protect from light | [solubility ]
DMSO:61.0(Max Conc. mg/mL);125.86(Max Conc. mM)
Ethanol:97.0(Max Conc. mg/mL);200.14(Max Conc. mM) | [form ]
A crystalline solid | [pka]
15.46±0.60(Predicted) | [color ]
White to off-white | [InChIKey]
CMVHFGNTABZQJU-HCXYKTFWSA-N | [SMILES]
C(N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC2N3N=C(C(C)(C)C)C=C3N=CN=2)C1=O)(=O)C |
| Hazard Information | Back Directory | [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). 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. 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. | [Uses]
BMS-813160, a dual CCR2/CCR5 chemokine antagonist. | [in vivo]
BMS-813160 (10-160 mg/kg; p.o. twice a day for two days) inhibits the migration of inflammatory monocytes and macrophages in mouse thioglycollate-induced peritonitis model, and shows excellent oral bioavailability[2]. | Animal Model: | Human-CCR2 knock-in C57BL/6 male mice with thioglycollate injection[2] | | Dosage: | 10, 50 and 160 mg/kg | | Administration: | Oral gavage; 10-160 mg/kg twice a day; for two days | | Result: | Dose-dependently reduced inflammatory monocyte and macrophage infiltration in the peritoneum. |
| [IC 50]
CCR5: 3.6 nM (IC50); CCR2: 6.2 nM (IC50) | [storage]
4°C, protect from light | [References]
[1] De Souza, F.I., Zumiotti, A.V., and Da Silva, C.F. Neuregulins 1-α and 1-β on the regeneration the peripheral nerves[J]. Acta Ortop Bras.
[2] NORMAN P. A dual CCR2/CCR5 chemokine antagonist, BMS-813160? Evaluation of WO2011046916.[J]. Expert Opinion on Therapeutic Patents, 2011, 21 12: 1919-1924. DOI: 10.1517/13543776.2011.622750 |
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| Company Name: |
BOC Sciences
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| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
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