RS 102895 hydrochloride, CCR2 receptor antagonist

Key facts

CAS番号

300815-41-2

精製度

>99%

製品の状態

Solid

form

分子量

426.9 Da

分子式

C₂₁H₂₂ClF₃N₂O₂

PubChem

16759153

由来

Synthetic

溶解性

Soluble in DMSO to 50 mM

化学名

RS 102895 hydrochloride

生物学的記述

Selective CCR2 receptor antagonist (IC₅₀ values are 360 nM and 17.8 μM at CCR2 and CCR1 receptors, respectively). Inhibits MCP-1 and MCP-3 stimulated calcium influx (IC₅₀ values are 32 and 130 nM, respectively). Active in vivo.

Canonical smiles

C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl

InChi

InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H

InChiKey

KRRISOFSWVKYBF-UHFFFAOYSA-N

IUPAC名

1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride