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Purity: ≥98%
BMS-813160 (BMS813160) is a novel, potent, selective and dual antagonist of CCR2/CCR5 (CC chemokine receptor) with potential immunomodulating and antineoplastic activities. It is the first dual CCR2/CCR5 antagonist to be tested in clinical settings for the management of heart conditions. BMS-813160 selectively binds to CCR2 and CCR5 and inhibits their activation. This suppresses the activation of signal transduction pathways mediated by CCR2/CCR5, which may suppress angiogenesis, inflammation, tumor cell migration, invasion, and proliferation.
Targets |
CCR5 ( IC50 = 3.6 nM ); CCR2 ( IC50 = 6.2 nM )
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ln Vitro |
BMS-813160 binds to CCR2, CCR5, CCR1, CCR4, and CXCR2 with IC50s of 6.2 nM, 3.6 nM, >25 μM, >40 μM and >40 μM, respectively[2].
MS-813160 exhibits activities to CCR2 CTX, CCR2 CD11b, CCR5 CTX, and CCR5 CD11b with IC50s of 0.8, 4.8, 1.1 and 5.7 nM, respectively[2]. |
ln Vivo |
BMS-813160 (10-160 mg/kg; p.o. twice daily for two days) exhibits good oral bioavailability and prevents the migration of inflammatory monocytes and macrophages in a mouse model of thioglycollate-induced peritonitis[2].
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Animal Protocol |
Human-CCR2 knock-in C57BL/6 male mice with thioglycollate injection
10, 50 and 160 mg/kg Oral gavage; 10-160 mg/kg twice a day; for two days |
References |
Molecular Formula |
C25H40N8O2
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Molecular Weight |
484.637504577637
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Exact Mass |
484.33
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Elemental Analysis |
C, 61.96; H, 8.32; N, 23.12; O, 6.60
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CAS # |
1286279-29-5
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Appearance |
Solid powder
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SMILES |
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C
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InChi Key |
CMVHFGNTABZQJU-HCXYKTFWSA-N
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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
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Chemical 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
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Synonyms |
BMS813160; BMS-813160; BMS 813160
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO: 25~97 mg/mL (51.6~200.1 mM)
Ethanol: ~97 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.29 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.29 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.29 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.0634 mL | 10.3169 mL | 20.6339 mL | |
5 mM | 0.4127 mL | 2.0634 mL | 4.1268 mL | |
10 mM | 0.2063 mL | 1.0317 mL | 2.0634 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
NCT03496662 | Active Recruiting |
Drug: BMS-813160 Drug: Nivolumab |
Pancreatic Ductal Adenocarcinoma |
Washington University School of Medicine |
August 31, 2018 | Phase 1 Phase 2 |
NCT04123379 | Active Recruiting |
Drug: BMS-813160 Drug: Nivolumab |
Non-small Cell Lung Cancer Hepatocellular Carcinoma |
Icahn School of Medicine at Mount Sinai |
March 5, 2020 | Phase 2 |
NCT03767582 | Recruiting | Drug: Nivolumab Drug: GVAX |
PDAC Pancreatic Ductal Adenocarcinoma |
BSidney Kimmel Comprehensive Cancer Center at Johns Hopkins |
December 12, 2019 | Phase 1 Phase 2 |
NCT01049165 | Completed | Drug: BMS-813160 Drug: [14C] BMS-813160 |
Accelerated Intimal Hyperplasia | Bristol-Myers Squibb | February 2010 | Phase 1 |
NCT03184870 | Completed | Drug: BMS-813160 Biological: Nivolumab |
Colorectal Cancer Pancreatic Cancer |
Bristol-Myers Squibb | August 8, 2017 | Phase 1 Phase 2 |