3-Chloro-4-morpholin-4-yl-1-p-tolyl-pyrrole-2,5-dione | 94740-73-5

• 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-morpholin-4-yl-1-p-tolyl-pyrrole-2,5-dione
• 英文别名: 3-Chloro-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
• CAS: 94740-73-5
• 化学式: C₁₅H₁₅ClN₂O₃
• 分子量: 306.749
• InChiKey: IXNGCYRRBYOOHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 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：
  4

反应信息

• 作为反应物：
  描述：

  3-Chloro-4-morpholin-4-yl-1-p-tolyl-pyrrole-2,5-dione 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以14%的产率得到4-Chloro-3-morpholin-4-yl-5-thioxo-1-p-tolyl-1,5-dihydro-pyrrol-2-one
  参考文献：
  名称：

  Die schwefelung c-substituierter maleinimide

  摘要：

  DOI：

  10.1016/s0040-4020(01)91501-7
• 作为产物：
  描述：

  吗啉 、 3,4-二氯-1-(4-甲基苯基)吡咯-2,5-二酮 以 1,4-二氧六环 为溶剂， 生成 3-Chloro-4-morpholin-4-yl-1-p-tolyl-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

• AUGUSTIN, M.;KOEHLER, M.;KAZANDJI, S., TETRAHEDRON, 1984, 40, N 18, 3499-3502
  作者：AUGUSTIN, M.、KOEHLER, M.、KAZANDJI, S.

  DOI：——

  日期：——
• 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.
• Die schwefelung c-substituierter maleinimide
  作者：M. Augustin、M. Köhler、S. Kazandji

  DOI：10.1016/s0040-4020(01)91501-7

  日期：1984.1