3-chloro-4-(4-morpholinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione | 415701-55-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 3-chloro-4-(4-morpholinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione
• 英文别名: 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
• CAS: 415701-55-2
• 化学式: C₁₅H₁₂ClF₃N₂O₃
• 分子量: 360.72
• InChiKey: MOLCCBNPHVPJPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吗啉 、 3,4-Dichloro-1-(3-trifluoromethyl-phenyl)-pyrrole-2,5-dione 以 1,4-二氧六环 为溶剂， 生成 3-chloro-4-(4-morpholinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione
  参考文献：
  名称：

  Inhibition of Bfl-1 with N-aryl maleimides

  摘要：

  High-throughput screening of 66,000 compounds using competitive binding of peptides comprising the BH3 domain to anti-apoptotic Bfl-1 led to the identification of 14 validated 'hits' as inhibitors of Bfl-1. N-Aryl maleimide 1 was among the validated 'hits'. A chemical library encompassing over 280 analogs of 1 was prepared following a two-step synthesis. Structure-activity studies for inhibition of Bfl-1 by analogs of N-aryl maleimide 1 revealed a preference for electron-withdrawing substituents in the N-aryl ring and hydrophilic amines appended to the maleimide core. Inhibitors of Bfl-1 are potential development candidates for anti-cancer therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.046

文献信息

• METHODS AND COMPOSITIONS FOR MODULATING RAD51 AND HOMOLOGOUS RECOMBINATION
  申请人：Connell Philip P.

  公开号：US20100248371A1

  公开（公告）日：2010-09-30

  The present invention concerns methods and compositions involving inhibitors and enhancers of RAD51, a protein involved in homologous recombination. In some embodiments, the present invention concerns methods for stimulating homologous recombination, which has a number of significant research and clinical applications. In certain other embodiments, there are methods for protecting cells using a compound that enhances RAD51 activity. Such enhancers may also be employed to prevent or reduce damage to cells that may be caused by DNA damaging agents. In other embodiments, there are methods for sensitizing cells to the effects of DNA damaging agents, which can have particular applications for cancer patients. In some embodiments of the invention, the RAD51 enhancer or inhibitor is a small molecule that directly affects RAD51 activity, such as its ability to promote filament formation.
• Methods and Compositions for Modulating Rad51 and Homologous Recombination
  申请人：The University of Chicago

  公开号：US20140142103A1

  公开（公告）日：2014-05-22

  The present invention concerns methods and compositions involving inhibitors and enhancers of RAD51, a protein involved in homologous recombination. In some embodiments, the present invention concerns methods for stimulating homologous recombination, which has a number of significant research and clinical applications. In certain other embodiments, there are methods for protecting cells using a compound that enhances RAD51 activity. Such enhancers may also be employed to prevent or reduce damage to cells that may be caused by DNA damaging agents. In other embodiments, there are methods for sensitizing cells to the effects of DNA damaging agents, which can have particular applications for cancer patients. In some embodiments of the invention, the RAD51 enhancer or inhibitor is a small molecule that directly affects RAD51 activity, such as its ability to promote filament formation.
• US9198914B2
  申请人：——

  公开号：US9198914B2

  公开（公告）日：2015-12-01
• Inhibition of Bfl-1 with N-aryl maleimides
  作者：John R. Cashman、Mary MacDonald、Senait Ghirmai、Karl J. Okolotowicz、Eduard Sergienko、Brock Brown、Xochella Garcia、Dayong Zhai、Russell Dahl、John C. Reed

  DOI：10.1016/j.bmcl.2010.09.046

  日期：2010.11

  High-throughput screening of 66,000 compounds using competitive binding of peptides comprising the BH3 domain to anti-apoptotic Bfl-1 led to the identification of 14 validated 'hits' as inhibitors of Bfl-1. N-Aryl maleimide 1 was among the validated 'hits'. A chemical library encompassing over 280 analogs of 1 was prepared following a two-step synthesis. Structure-activity studies for inhibition of Bfl-1 by analogs of N-aryl maleimide 1 revealed a preference for electron-withdrawing substituents in the N-aryl ring and hydrophilic amines appended to the maleimide core. Inhibitors of Bfl-1 are potential development candidates for anti-cancer therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.