1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮
| 中文名称 | 1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮 |
|---|---|
| 中文同义词 | RS 102895 盐酸盐;1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮盐酸盐;1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮;1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并噁嗪-4,4'-哌啶]-2(1H)-酮盐酸盐;1'-(4-(三氟甲基)苯乙基)螺[苯并[D][1,3]恶嗪-4,4'-哌啶]-2(1H)-酮;化合物RS102895;1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮 |
| 英文名称 | RS 102895 |
| 英文同义词 | 1'-(4-(TrifluoroMethyl)phenethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one hydrochloride;RS 102895 HYDROCHLORIDE;1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-spiro[4h-3,1-benzoxazine-4,4'-peperidin]-2(1h)-one;1'-[2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL]-SPIRO[4H-3,1-BENZOXAZINE-4,4'-PIPERIDIN]-2(1H)-ONE HYDROCHLORIDE;1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one,hydrochloride;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;CC chemokine receptor,CCR,Inhibitor,RS102895,inhibit,RS-102895,RS 102895 |
| CAS号 | 300815-41-2 |
| 分子式 | C21H21F3N2O2 |
| 分子量 | 390.4 |
| EINECS号 | |
| 相关类别 | 定制化学品;RS 102895 CCR2-selective chemokine receptor antagonist.;Cytokine signaling |
| Mol文件 | 300815-41-2.mol |
| 结构式 | ![1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮 结构式](CAS/GIF/300815-41-2.gif) |
1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并恶嗪-4,4'-哌啶]-2(1H)-酮 性质
| 沸点 | 446.1±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.33±0.1 g/cm3 (20 ºC 760 Torr) |
| 储存条件 | Desiccate at RT |
| 溶解度 | DMSO：18 mg/mL，澄清，无色 |
| 形态 | 粉末 |
| 酸度系数(pKa) | 13.46±0.20(Predicted) |
| 颜色 | 白色 |
|
CCR2 360 nM (IC 50 ) |
CCR1 17800 nM (IC 50 ) |
Human α 1a receptor 130 nM (IC 50 ) |
Human α 1d receptor 320 nM (IC 50 ) |
5HT-1a receptor 470 nM (IC 50 ) |
RS102895 is a potent CCR2 antagonist, with an IC 50 of 360 nM, and shows no effect on CCR1. RS102895 also inhibits human α1a and α1d receptors, rat brain cortex 5HT1a receptor in cells with IC 50 s of 130, 320, 470 nM, respectively. RS102895 suppresses wild type and D284N mutant MCP-1 receptor (IC 50 , 550 nM and 568 nM, respectively), less potently inhibits D284A MCP-1 receptor (IC 50 , 1892 nM), and has no effects on E291A, E291Q, D284A/E291A or D284N/E291Q (IC 50 , >100,000 nM). RS102895 ameliorates the increased extracellular matrix (ECM) protein expression by inhibition of CCR2 at 10 μM, and obviously blocks fibronectin and type IV collagen protein expression in high glucose (HG)-stimulated mesangial cells (MCs) at 1 or 10 μM. RS102895 (10 μM) also abrogates the increased TGF-1 levels in MCs treated with MCP-1.
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.
安全信息
| 安全说明 | 22-24/25 |
|---|---|
| WGK Germany | 3 |