3-chloro-1-(3,4-dichlorophenyl)-4-(2-methyl-3-oxopiperazin-1-yl)-1H-pyrrole-2,5-dione | 1031261-94-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-chloro-1-(3,4-dichlorophenyl)-4-(2-methyl-3-oxopiperazin-1-yl)-1H-pyrrole-2,5-dione
• 英文别名: 3-Chloro-1-(3,4-dichlorophenyl)-4-(2-methyl-3-oxo-1-piperazinyl)pyrrole-2,5-dione；3-chloro-1-(3,4-dichlorophenyl)-4-(2-methyl-3-oxopiperazin-1-yl)pyrrole-2,5-dione
• CAS: 1031261-94-5
• 化学式: C₁₅H₁₂Cl₃N₃O₃
• 分子量: 388.638
• InChiKey: LAJCAHFPXAHWMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲基-2-氧代-哌嗪 、 3,4-二氯-1-(3,4-二氯苯基)吡咯-2,5-二酮 以 1,4-二氧六环 为溶剂， 生成 3-chloro-1-(3,4-dichlorophenyl)-4-(2-methyl-3-oxopiperazin-1-yl)-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

• CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS
  申请人：Reed John C.

  公开号：US20090069324A1

  公开（公告）日：2009-03-12

  Compounds that bind to Bfl-1 as well as conjugates of such compounds are provided. Various embodiments additionally provide methods of using such compounds to identify additional anti-apoptotic Bfl-1 binding compounds. Methods of using such compounds to increase apoptosis in a cell are also provided.
• [EN] CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS<br/>[FR] INHIBITEURS CHIMIQUES DE BFL-1 ET PROCÉDÉS CONCERNÉS
  申请人：BURNHAM INST

  公开号：WO2008157003A2

  公开（公告）日：2008-12-24

  [EN] Compounds that bind to BfI-1 as well as conjugates of such compounds are provided. Various embodiments additionally provide methods of using such compounds to identify additional anti-apoptotic BfI- 1 binding compounds. Methods of using such compounds to increase apoptosis in a cell are also provided.
  [FR] L'invention concerne des composés qui se lient à BfI-1 ainsi que des conjugués de tels composés. Divers modes de réalisation fournissent de plus des procédés d'utilisation de tels composés pour identifier des composés se liant à BfI-1 anti-apoptotiques supplémentaires. Des procédés d'utilisation de tels composés pour augmenter l'apoptose dans une cellule sont également fournis.