3-(4-Acetylphenyl)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione | 1021953-03-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-Acetylphenyl)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
• 英文别名: 3-(4-acetylphenyl)-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
• CAS: 1021953-03-6
• 化学式: C₂₂H₁₈N₂O₃
• 分子量: 358.397
• InChiKey: WHHVBNUZGJPVEH-UHFFFAOYSA-N

物化性质

• 沸点：
  608.4±55.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-methyl-3-bromo-4-(2-methyl-1H-3-indolyl)-2,5-dihydro-1H-2,5-pyrroledione 、 4-乙酰基苯硼酸 在 palladium diacetate 、 potassium carbonate 、 正丁基二(1-金刚烷基)膦 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 3.5h， 以99%的产率得到3-(4-Acetylphenyl)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
  参考文献：
  名称：

  Efficient palladium-catalyzed synthesis of 3-aryl-4-indolylmaleimides

  摘要：

  开发出了用于 3-溴-1-甲基-4-(2-甲基-3-吲哚基)马来酰亚胺铃木偶联反应的改良型钯催化剂。在催化剂负载较低的情况下，芳基硼酸和杂芳基硼酸的偶联反应均能顺利进行，并获得良好甚至优异的产率。

  DOI：

  10.1039/b719160j

文献信息

• Use of maleimide derivatives for preventing and treating cancer
  申请人：CENTOGENE AG

  公开号：US10420754B2

  公开（公告）日：2019-09-24

  The present invention is related to a compound of formula (I): a pharmaceutically acceptable salt thereof, a hydrate thereof, a solvate thereof, a metabolite thereof or a prodrug thereof; for use in a method for the treatment and/or prevention of cancer, wherein X is selected from the group consisting of N—R1, O and S; R1 is selected from the group consisting of alkyl, cycloalkyl, aryl, arylalkyl and hydrogen; R2 is selected from the group consisting of indolyl, substituted indolyl, azaindolyl and substituted azaindolyl; and R3 is selected from the group consisting of aryl, substituted aryl, unsubstituted heteroaryl, heterocyclyl and substituted heterocyclyl.

  本发明涉及一种式（I）化合物： 其药学上可接受的盐、其水合物、其溶液、其代谢物或其原药； 用于治疗和/或预防癌症的方法，其中 X选自由N-R1、O和S组成的组； R1 选自由烷基、环烷基、芳基、芳烷基和氢组成的组； R2 选自由吲哚基、取代的吲哚基、偶氮吲哚基和取代的偶氮吲哚基组成的组；和 R3 选自由芳基、取代的芳基、未取代的杂芳基、杂环基和取代的杂环基组成的组。
• USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING CANCER
  申请人：Centogene AG

  公开号：EP2928465A2

  公开（公告）日：2015-10-14
• USE OF MALEIMIDE DERIVATIVES FOR PREVENTING AND TREATING LEUKEMIA
  申请人：Centogene GmbH

  公开号：EP2928466B1

  公开（公告）日：2020-10-28
• Use of Maleimide Derivatives for Preventing and Treating Cancer
  申请人：CENTOGENE AG

  公开号：US20180325877A1

  公开（公告）日：2018-11-15

  The present invention is related to a compound of formula (I): a pharmaceutically acceptable salt thereof, a hydrate thereof, a solvate thereof, a metabolite thereof or a prodrug thereof; for use in a method for the treatment and/or prevention of cancer, wherein X is selected from the group consisting of N—R 1 , O and S; R 1 is selected from the group consisting of alkyl, cycloalkyl, aryl, arylalkyl and hydrogen; R 2 is selected from the group consisting of indolyl, substituted indolyl, azaindolyl and substituted azaindolyl; and R 3 is selected from the group consisting of aryl, substituted aryl, unsubstituted heteroaryl, heterocyclyl and substituted heterocyclyl.
• US9724331B2
  申请人：——

  公开号：US9724331B2

  公开（公告）日：2017-08-08