445479-97-0

445479-97-0 structure

Name: BMS CCR2 22
Chemical Name: N-[2-[[(1R,2S)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
CAS Number: 445479-97-0
Molecular Formula: C₂₈H₃₄F₃N₅O₄S
Molecular Weight: 593.66100
Catalog: Signaling Pathways GPCR/G Protein CCR
Create Date: 2018-12-14 20:04:41
Modify Date: 2025-08-31 11:58:57
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].

Name	N-[2-[[(1R,2S)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
Synonyms	Carboxy-PTIO,potassium salt

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].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> CCR Research Areas >> Endocrinology Signaling 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.

Molecular Formula	C₂₈H₃₄F₃N₅O₄S
Molecular Weight	593.66100
Exact Mass	593.22800
PSA	153.73000
LogP	6.18100

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