4-{4-[benzenesulfonyl-(3H-imidazol-4-ylmethyl)amino]phenyl}-1-piperazinecarbothioic acid phenethylamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-{4-[benzenesulfonyl-(3H-imidazol-4-ylmethyl)amino]phenyl}-1-piperazinecarbothioic acid phenethylamide
• 英文别名: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-phenylethyl)piperazine-1-carbothioamide
• 化学式: C₂₉H₃₂N₆O₂S₂
• 分子量: 560.744
• InChiKey: ZYNGWCIWJAOSGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-硝基苯基)哌嗪 在 palladium on activated charcoal 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 4-{4-[benzenesulfonyl-(3H-imidazol-4-ylmethyl)amino]phenyl}-1-piperazinecarbothioic acid phenethylamide
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of farnesyl protein transferase inhibitors as non-peptidic CAAX tetrapeptide analogues

  摘要：

  A novel series of compounds, derived from 4-amino-phenyl piperazine, has been designed to selectively inhibit farnesyl protein transferase (FPTase) as CAAX tetrapeptide analogues. Certain of these compounds were shown to possess low nanomolar inhibitory activity both against the isolated enzyme and in cultured cells. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00170-7

文献信息

• Synthesis and evaluation of a novel series of farnesyl protein transferase inhibitors as non-peptidic CAAX tetrapeptide analogues
  作者：Michel Perez、Catherine Maraval、Stephan Dumond、Marie Lamothe、Philippe Schambel、Chantal Etiévant、Bridget Hill

  DOI：10.1016/s0960-894x(03)00170-7

  日期：2003.4

  A novel series of compounds, derived from 4-amino-phenyl piperazine, has been designed to selectively inhibit farnesyl protein transferase (FPTase) as CAAX tetrapeptide analogues. Certain of these compounds were shown to possess low nanomolar inhibitory activity both against the isolated enzyme and in cultured cells. (C) 2003 Elsevier Science Ltd. All rights reserved.