(S)-2-((S)-4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-((4-chloro-3-nitrophenyl)sulfonyl)-3-phenylpropanamide

• 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: (S)-2-((S)-4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-((4-chloro-3-nitrophenyl)sulfonyl)-3-phenylpropanamide
• 英文别名: (2S)-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-chloro-3-nitrophenyl)sulfonyl-3-phenylpropanamide
• 化学式: C₂₅H₂₁ClN₄O₇S
• 分子量: 556.983
• InChiKey: DIUQOXWAEHGFOR-UNMCSNQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  167
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯丙氨酰-苯丙氨酸甲酯盐酸盐 在 吡啶 、 盐酸 、 水 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 31.5h， 生成 (S)-2-((S)-4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-((4-chloro-3-nitrophenyl)sulfonyl)-3-phenylpropanamide
  参考文献：
  名称：

  Design, synthesis and preliminary bioactivity studies of imidazolidine-2,4-dione derivatives as Bcl-2 inhibitors

  摘要：

  Anti-apoptotic B-cell lymphoma-2 (Bcl-2) proteins are promising targets for cancer therapy. In the present study, a series of imidazolidine-2,4-dione derivatives were designed and synthesized to test their inhibitory activities against anti-apoptotic Bcl-2 proteins. Among them, compound 8k had better growth inhibitory effects on K562 and PC-3 cell lines compared to lead compound WL-276. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.10.023

文献信息

• Design, synthesis and preliminary bioactivity studies of imidazolidine-2,4-dione derivatives as Bcl-2 inhibitors
  作者：Gang Wang、Yutao Wang、Lei Wang、Leiqiang Han、Xuben Hou、Huansheng Fu、Hao Fang

  DOI：10.1016/j.bmc.2015.10.023

  日期：2015.12

  Anti-apoptotic B-cell lymphoma-2 (Bcl-2) proteins are promising targets for cancer therapy. In the present study, a series of imidazolidine-2,4-dione derivatives were designed and synthesized to test their inhibitory activities against anti-apoptotic Bcl-2 proteins. Among them, compound 8k had better growth inhibitory effects on K562 and PC-3 cell lines compared to lead compound WL-276. (C) 2015 Elsevier Ltd. All rights reserved.