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300815-41-2

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300815-41-2 Structure

300815-41-2 Structure
IdentificationBack Directory
[Name]

RS 102895
[CAS]

300815-41-2
[Synonyms]

RS 102895 HYDROCHLORIDE
1'-(4-(trifluoromethyl)phenethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-spiro[4h-3,1-benzoxazine-4,4'-peperidin]-2(1h)-one
Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-
1'-(4-(TrifluoroMethyl)phenethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one,hydrochloride
1'-[2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL]-SPIRO[4H-3,1-BENZOXAZINE-4,4'-PIPERIDIN]-2(1H)-ONE HYDROCHLORIDE
[Molecular Formula]

C21H21F3N2O2
[MDL Number]

MFCD08703093
[MOL File]

300815-41-2.mol
[Molecular Weight]

390.4
Chemical PropertiesBack Directory
[Boiling point ]

446.1±45.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Desiccate at RT
[solubility ]

DMSO: 18 mg/mL, clear, colorless
[form ]

powder
[pka]

13.46±0.20(Predicted)
[color ]

white
[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
[SMILES]

Cl.FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

RS 102895 is a CCR2-selective chemokine receptor inhibitor.
[Biological Activity]

CCR2-selective chemokine receptor antagonist (IC 50 values are 0.36 and 17.8 μ M for inhibition of human recombinant CCR2b and CCR1 receptors respectively). Blocks MCP-1-stimulated calcium influx and chemotaxis with IC 50 values of 32 nM and 1.7 μ M respectively. Also inhibits α 1A , α 1D and 5-HT 1A receptors.
[in vivo]

RS102895 (3 g/L) causes progressive decrease in pain threshold in rats with bone cancer pain (BCP) at day 3-9 after surgery via intrathecal injection, but the pain threshold increases after 12 days. RS102895 also potently reverses the pattern of NR2B, nNOS, and SIGIRR expression in spinal cord[3].

[IC 50]

CCR2: 360 nM (IC50); CCR1: 17800 nM (IC50); Human α1a receptor: 130 nM (IC50); Human α1d receptor: 320 nM (IC50); 5HT-1a receptor: 470 nM (IC50)
Spectrum DetailBack Directory
[Spectrum Detail]

RS 102895(300815-41-2)1HNMR
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