N-{2-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-oxo-ethyl}-benzamide | 187148-80-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 英文名称: N-{2-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-oxo-ethyl}-benzamide
• 英文别名: N-[2-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]-2-oxoethyl]benzamide；N-[2-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-oxoethyl]benzamide
• CAS: 187148-80-7
• 化学式: C₂₈H₂₆ClN₃O₂
• 分子量: 471.986
• InChiKey: ZDYAXBJXENTPDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯雷他定 在 盐酸 、 乙胺嗪 、 1-羟基苯并三唑 作用下， 以 水 为溶剂， 生成 N-{2-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-oxo-ethyl}-benzamide
  参考文献：
  名称：

  Novel tricyclic aminoacetyl and sulfonamide inhibitors of Ras farnesyl protein transferase

  摘要：

  Novel tricyclic FPT inhibitors with submicromolar FPT activity are described. Greatly enhanced FPT activity is realized with phthaloyl derivatized amino compound 2k, which showed FPT inhibitory activity of IC50 = 0.66 mu M. Sulfonamides 5g and 50 were also found to be potent FPT inhibitor. SAR resulting from a variety of tricyclic amino acids and sulfonamide derivatives is discussed. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00558-6

文献信息

• Novel tricyclic aminoacetyl and sulfonamide inhibitors of Ras farnesyl protein transferase
  作者：F.George Njoroge、Bancha Vibulbhan、Carmen S. Alvarez、W.Robert Bishop、Joanne Petrin、Ronald J. Doll、V. Girijavallabhan、Ashit K. Ganguly

  DOI：10.1016/s0960-894x(96)00558-6

  日期：1996.12

  Novel tricyclic FPT inhibitors with submicromolar FPT activity are described. Greatly enhanced FPT activity is realized with phthaloyl derivatized amino compound 2k, which showed FPT inhibitory activity of IC50 = 0.66 mu M. Sulfonamides 5g and 50 were also found to be potent FPT inhibitor. SAR resulting from a variety of tricyclic amino acids and sulfonamide derivatives is discussed. Copyright (C) 1996 Elsevier Science Ltd