1-(3-Chlorophenyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]piperazin-2-one | 312937-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-(3-Chlorophenyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]piperazin-2-one
• CAS: 312937-07-8
• 化学式: C₃₄H₃₁ClN₄O
• 分子量: 547.099
• InChiKey: BGRFWUQLBATRKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Chlorophenyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]piperazin-2-one 在 甲醇 、 N,N-二异丙基乙胺 作用下， 生成 1-(3-Chlorophenyl)-4-[2-[3-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]ethyl]piperazin-2-one
  参考文献：
  名称：

  Potent inhibitors of farnesyltransferase and geranylgeranyltransferase-I

  摘要：

  Compound 1 has been shown to be a dual prenylation inhibitor with FPTase (IC50 = 2 nM) and GGPTase-1 (IC50 = 95 nM). Analogues of 1, which replaced the cyanophenyl group with various biaryls, led to the discovery of highly potent dual FPTase/GGPTase-1 inhibitors. 4-Trifluoromethylphenyl, trifluoropentynyl, and trifluoropentyl were identified as good p-cyano replacements. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00154-3
• 作为产物：
  描述：

  组胺 在 sodium hydroxide 、 sodium cyanoborohydride 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 1-(3-Chlorophenyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]piperazin-2-one
  参考文献：
  名称：

  Potent inhibitors of farnesyltransferase and geranylgeranyltransferase-I

  摘要：

  Compound 1 has been shown to be a dual prenylation inhibitor with FPTase (IC50 = 2 nM) and GGPTase-1 (IC50 = 95 nM). Analogues of 1, which replaced the cyanophenyl group with various biaryls, led to the discovery of highly potent dual FPTase/GGPTase-1 inhibitors. 4-Trifluoromethylphenyl, trifluoropentynyl, and trifluoropentyl were identified as good p-cyano replacements. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00154-3