CAS 445479-97-0|BMS CCR2 22
Introduction：Basic information about CAS 445479-97-0|BMS CCR2 22, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | BMS CCR2 22 | ||
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| CAS Number | 445479-97-0 | Molecular Weight | 593.66100 |
| Density | / | Boiling Point | / |
| Molecular Formula | C28H34F3N5O4S | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | N-[2-[[(1R,2S)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide |
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| Synonym | More Synonyms |
BMS CCR2 22 BiologicalActivity
| Description | BMS CCR2 22 is a potent, specific and high affinity CC-type chemokine receptor 2 (CCR2) antagonist with excellent binding affinity (binding IC50 of 5.1 nM) and potent functional antagonism (calcium flux IC50 of 18 nM and chemotaxis IC50 of 1 nM)[1][2]. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>CCRResearch Areas >>EndocrinologySignaling Pathways >>Immunology/Inflammation >>CCR |
| Target | CCR2:5.1 nM (IC50) |
| In Vitro | BMS CCR2 22 (Compound 22) has binding affinity for wild-type and E291A mutants with IC50 values of 7.5 nM and 3.7 nM, respectively[1].BMS CCR2 22 prevents both the binding and the internalization of fluorescently labeled hMCP-1_AF647 internalization in human monocytes. BMS CCR2 22 inhibits the internalization of hMCP1_AF647 with an IC50 value of approximately 2 nM[2]. The addition of BMS CCR2 22 (0.1-10 μM; 24 h), cenicriviroc (CVC) or a combination of both BMS CCR2 22 and MVC to human aortic endothelial cells (HAoECs) prior to MCP-1 stimulation do not alter E-selectin, ICAM-1, or CD99 cell surface expression. Incubation of HAoECs with BMS CCR2 22 before MCP-1 significantly increases VCAM-1 and PECAM1 cell surface levels (from 72.8 to 160% and from 97.2 and 127%, respectively)[3]. |
| References | [1]. Cherney RJ, et al. Discovery of disubstituted cyclohexanes as a new class of CC chemokine receptor 2 antagonists. J Med Chem. 2008 Feb 28;51(4):721-4. [2]. Kredel S, et al. High-content analysis of CCR2 antagonists on human primary monocytes. J Biomol Screen. 2011 Aug;16(7):683-93. [3]. D'Antoni ML, et al. Cenicriviroc inhibits trans-endothelial passage of monocytes and is associated with impaired E-selectin expression. J Leukoc Biol. 2018 Dec;104(6):1241-1252. |
Chemical & Physical Properties
| Molecular Formula | C28H34F3N5O4S |
|---|---|
| Molecular Weight | 593.66100 |
| Exact Mass | 593.22800 |
| PSA | 153.73000 |
| LogP | 6.18100 |
| InChIKey | IBPXYDUJQWENPM-XZOQPEGZSA-N |
| SMILES | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 |
Synonyms
| Carboxy-PTIO,potassium salt |
