5-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperidin-1-yl]-2-oxo-ethyl}-piperidin-1-yl)-5-oxo-pentanoic acid amide

• 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: 5-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperidin-1-yl]-2-oxo-ethyl}-piperidin-1-yl)-5-oxo-pentanoic acid amide
• 英文别名: 5-[4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-5-oxopentanamide
• 化学式: C₃₁H₃₇Br₂ClN₄O₃
• 分子量: 708.921
• InChiKey: MKKXLXYTONEUHU-SSEXGKCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  lithium;5-[4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-5-oxopentanoate 在 N-甲基吗啉 、 氯化铵 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 18.0h， 生成 5-(4-{2-[4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperidin-1-yl]-2-oxo-ethyl}-piperidin-1-yl)-5-oxo-pentanoic acid amide
  参考文献：
  名称：

  COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE

  摘要：

  公开号：

  EP0942906B1

文献信息

• Trihalobenzocycloheptapyridine analogues of Sch 66336 as potent inhibitors of farnesyl protein transferase
  作者：F.George Njoroge、Bancha Vibulbhan、Patrick Pinto、Corey L Strickland、W.Robert Bishop、Paul Kirschmeir、V Girijavallabhan、Ashit K Ganguly

  DOI：10.1016/s0968-0896(02)00308-5

  日期：2003.1

  SCH 66336 is a trihalo tricyclic compound that is currently undergoing Phase 11 clinical trials for the treatment of solid tumors. Modifications of SCH 66336 by incorporating such groups as amides, acids, esters, ureas and lactams off the first or the distal piperidine (from the tricycle) provided potent FPT inhibitors some of which exhibited good cellular activity. A number of these compounds incorporate properties that might improve pharmacokinetic stability of these inhibitors by virtue of their increased solubility or by their change in log P. (C) 2002 Elsevier Science Ltd. All rights reserved.
• COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE
  申请人：SCHERING CORPORATION

  公开号：EP0942906B1

  公开（公告）日：2004-11-03