(S)-2-((S)-4-(4-(2-fluoropyridin-4-yl)benzyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-tosylpropanamide

• 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-(4-(2-fluoropyridin-4-yl)benzyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-tosylpropanamide
• 英文别名: (2S)-2-[(4S)-4-[[4-(2-fluoropyridin-4-yl)phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
• 化学式: C₃₁H₂₇FN₄O₅S
• 分子量: 586.644
• InChiKey: JJBRQVPBSDCQNA-SVBPBHIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Boc-L-4-溴苯丙氨酸 在 吡啶 、 盐酸 、 四(三苯基膦)钯 、 水 、 sodium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 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 、 水 、 甲苯 为溶剂， 反应 36.0h， 生成 (S)-2-((S)-4-(4-(2-fluoropyridin-4-yl)benzyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-tosylpropanamide
  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.