300815-41-2

中文名稱 1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮

英文名稱 RS 102895

CAS 300815-41-2

分子式 C21H21F3N2O2

分子量 390.4

MOL 文件 300815-41-2.mol

更新日期 2024/06/03 14:41:43

300815-41-2 結(jié)構(gòu)式

基本信息物理化學(xué)性質(zhì) 安全數(shù)據(jù) 圖譜信息 1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮價(jià)格(試劑級(jí)) 常見(jiàn)問(wèn)題列表

基本信息

中文別名

RS 102895 鹽酸鹽
1'-(4-(三氟甲基)苯乙基)螺[苯并[D][1,3]惡嗪-4,4'-哌啶]-2(1H)-酮
1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮
1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮鹽酸鹽
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)-酮鹽酸鹽

英文別名

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

所屬類別

生物化工：激動(dòng)劑抑制劑

物理化學(xué)性質(zhì)

沸點(diǎn)446.1±45.0 °C(Predicted)

密度1.33±0.1 g/cm3 (20 ºC 760 Torr)

儲(chǔ)存條件Desiccate at RT

溶解度DMSO: 18 mg/mL, clear, colorless

酸度系數(shù)(pKa)13.46±0.20(Predicted)

形態(tài)powder

顏色白色

InChI1S/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

InChIKeyKRRISOFSWVKYBF-UHFFFAOYSA-N

SMILESCl.FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1

安全數(shù)據(jù)

安全說(shuō)明22-24/25

WGK Germany3

存儲(chǔ)類別11 - Combustible Solids

圖譜信息

1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮(300815-41-2)核磁圖(¹HNMR)

1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮價(jià)格(試劑級(jí))

報(bào)價(jià)日期	產(chǎn)品編號(hào)	產(chǎn)品名稱	CAS號(hào)	包裝	價(jià)格
2026/06/05	HY-18611A	1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮 Abaucin	300815-41-2	1 mg	333元
2026/06/05	HY-18611A	1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮 Abaucin	300815-41-2	5 mg	750元
2026/06/05	HY-18611A	1'-[2-[4-(三氟甲基)苯基]乙基]-螺[4H-3,1-苯并惡嗪-4,4'-哌啶]-2(1H)-酮 Abaucin	300815-41-2	10 mM * 1 mL in DMSO	825元

常見(jiàn)問(wèn)題列表

生物活性

RS102895 是一種有效的 CCR2 拮抗劑，IC50 值為 360 nM，對(duì) CCR1 無(wú)作用。

靶點(diǎn)

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 )

體外研究

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.

體內(nèi)研究

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.