CAS: 894783-61-0; Methyl (Z)-3-(((4-(2-(4-Methylpiperazin-1-yl)Acetamido)Phenyl)Amino)(Phenyl)Methylene)-2-Oxoindoline-6-Carboxylate

英文名称Methyl (Z)-3-(((4-(2-(4-Methylpiperazin-1-yl)Acetamido)Phenyl)Amino)(Phenyl)Methylene)-2-Oxoindoline-6-Carboxylate
中文名称乙磺酸尼达尼布杂质 07
IUPAC名称methyl (Z)-3-(((4-(2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
其它别名Intedanib Impurity G; Nintedanib Impurity 20/desmethyl Nintedanib/(Z)-Methyl 3-(((4-(2-(4-Methylpiperazin-1-Yl)Acetamido)Phenyl)Amino)(Phenyl)Methylene)-2-Oxoindoline-6-Carboxylate; Nintedanib Desmethyl; 1H-Indole-6-Carboxylic Acid, 2,3-Dihydro-3-[[[4-[[2-(4-Methyl-1-Piperazinyl)Acetyl]Amino]Phenyl]Amino]Phenylmethylene]-2-Oxo-, Methyl Ester, (3Z)-; Intedanib(Nintedanib) Impurity 16; Nintedanib Impurities9; Methyl (Z)-3-(((4-(2-(4-Methylpiperazin-1-Yl)Acetamido)Phenyl)Amino)(Phenyl)Methylene)-2-Oxoindoline-6-Carboxylate; Methyl (3Z)-2,3-Dihydro-3-[[[4-[[2-(4-Methyl-1-Piperazinyl)Acetyl]Amino]Phenyl]Amino]Phenylmethylene]-2-Oxo-1H-Indole-6-Carboxylate
CAS编号894783-61-0
FDA UNII编号:DS9739N9SL
分子式:C30H31N5O4分子量:525.61
产品CID: 1916494
产品分类有机原料 → 有机杂环化合物 → 吲哚及其衍生物

相似结构搜索
InChIKey: MJBOSKJANLJEQK-DQSJHHFOSA-N
InChI=1S/C30H31N5O4/c1-34-14-16-35(17-15-34)19-26(36)31-22-9-11-23(12-10-22)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,32H,14-17,19H2,1-
计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数8.0

物理性质

密度1.308±0.06 g/cm3 (20 °C 760 Torr)
LogP:4.1
溶解性DMSO (Slightly), Methanol (Slightly, Heated)
外观形态淡黄色至黄色固体
产品应用该化合物用于研究合成异狄氏酮作为三重血管素抑制剂.

MSDS等安全信息

上下游产品

N-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide (E)-1-acetyl-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester

合成工艺路线路线简述

262368-25-2 + 1168152-07-5 = 894783-61-0
反应条件:1.1 Solvents: Dimethylformamide; 1 H,80 °C1.2 Reagents: Piperidine; 2 H,Rt
标题:Design,Synthesis,And Evaluation Of Indolinones As Triple Angiokinase Inhibitors And The Discovery Of A Highly Specific 6-Methoxycarbonyl-Substituted Indolinone (Bibf 1120)
作者:Roth,Gerald J.; Heckel,Armin; Colbatzky,Florian; Handschuh,Sandra; Kley,Jorg; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(14) 页码:4466-4480