2,4-dimethyl-5-[(Z)-[5-(5-methyl-1-phenylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4-dimethyl-5-[(Z)-[5-(5-methyl-1-phenylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
• 化学式: C₃₂H₃₄N₆O₂
• 分子量: 534.7
• InChiKey: MKVSYSYLVOKFBA-ITYLOYPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  95
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER
  申请人：BOSTON BIOMEDICAL, INC.

  公开号：US20160031888A1

  公开（公告）日：2016-02-04

  The invention provides compounds of Formula I as inhibitors of cancer stem cells as well as cancer stem cell pathway kinase and other related kinases, pharmaceutical compositions and uses thereof in the treatment of cancer or a related disorder in a mammal, wherein i.a. R 2 is an optionally substituted heterocycle or optionally substituted aryl; and one of R 4 , R 5 , R 6 and R 7 is a substituted heterocycle or substituted aryl.

  本发明提供了I式化合物，作为癌症干细胞及癌症干细胞通路激酶和其他相关激酶的抑制剂，以及在哺乳动物的癌症或相关疾病治疗中的药物组成和用途，其中i.a. R2是可选取代的杂环或可选取代的芳基；而R4、R5、R6和R7中的一个是取代的杂环或取代的芳基。
• HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE
  申请人：BOSTON BIOMEDICAL, INC.

  公开号：US20160075697A1

  公开（公告）日：2016-03-17

  Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof. (In the formula, R 1 is optionally substituted heteroaryl etc.; R 2 is hydrogen etc.; R 3 and R 4 are each independently hydrogen etc., R 5 is the following group: (wherein Y is optionally substituted five membered heteroaryl etc., R 9a is optionally substituted aryl etc., R 9b and R 9c are each dependently hydrogen etc., and m is the integral 0 etc.) etc.; R 6 is hydrogen etc.; and R 7 is hydrogen etc.

  公开了一个由式（1）表示的化合物或其药学上可接受的盐。（在公式中，R1是可选取代的杂环芳基等；R2是氢等；R3和R4各自独立地是氢等，R5是以下基团：（其中Y是可选取代的五元杂环芳基等，R9a是可选取代的芳基等，R9b和R9c各自依赖于氢等，m是整数0等）等；R6是氢等；R7是氢等。
• US20140275076A1
  申请人：——

  公开号：US20140275076A1

  公开（公告）日：2014-09-18
• US9227962B2
  申请人：——

  公开号：US9227962B2

  公开（公告）日：2016-01-05
• [EN] 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 3-(ARYL OU HÉTÉROARYL)MÉTHYLÈNEINDOLIN-2-ONE EN TANT QU'INHIBITEURS DE KINASES DE LA VOIE DES CELLULES SOUCHES CANCÉREUSES POUR LE TRAITEMENT DE CANCER
  申请人：BOSTON BIOMEDICAL INC

  公开号：WO2014160401A1

  公开（公告）日：2014-10-02

  The invention provides compounds of Formula I as inhibitors of cancer stem cells as well as cancer stem cell pathway kinase and other related kinases, pharmaceutical compositions and uses thereof in the treatment of cancer or a related disorder in a mammal, wherein i.a. R2 is an optionally substituted heterocycle or optionally substituted aryl; and one of R4, R5, R6and R7 is a substituted heterocycle or substituted aryl.