WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407861
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.
Hodoodo Cat#: H407861
Name: BMS-813160
CAS#: 1286279-29-5
Chemical Formula: C25H40N8O2
Exact Mass: 484.33
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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info: 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.
| Biological target: | BMS-813160 is the first dual CCR2/CCR5 antagonist. |
| In vitro activity: | N/A |
| In vivo activity: | N/A |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 61.0 | 125.86 | |
| Ethanol | 97.0 | 200.14 |
The following data is based on the product molecular weight 484.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | N/A |
| In vitro protocol: | N/A |
| In vivo protocol: | N/A |
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.
