1-(3-pyridinylcarbonyl)-4-(8-chloro-5,6dihydro-11H-benzo-[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine

• 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: 1-(3-pyridinylcarbonyl)-4-(8-chloro-5,6dihydro-11H-benzo-[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine
• 英文别名: 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-(3-pyridinylcarbonyl)piperidine；1-(3-pyridinylcarbonyl)-4-(8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta-[1,2-b]pyridin-11-ylidene)piperidine；[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]-pyridin-3-ylmethanone
• 化学式: C₂₅H₂₂ClN₃O
• 分子量: 415.922
• InChiKey: VDAPAPMSRXFUDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  烟酸 、 地氯雷他定 在 N-甲基吗啉 、 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 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以15%的产率得到1-(3-pyridinylcarbonyl)-4-(8-chloro-5,6dihydro-11H-benzo-[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine
  参考文献：
  名称：

  Discovery of novel nonpeptide tricyclic inhibitors of ras farnesyl protein transferase

  摘要：

  A comprehensive structure-activity relationship (SAR) study of novel tricyclic amides has been undertaken. The discovery of compounds that are potent FPT inhibitors in the nanomolar range has been achieved. These compounds are nonpeptidic and do not contain sulfhydryl groups. They selectively inhibit farnesyl protein transferase (FPT) and not geranylgeranyl protein transferase-1 (GGPT-1). They also inhibit H-Ras processing in Cos monkey kidney cells. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00206-4

文献信息

• Benzo[5,6]cycloheptapyridines, compositions and methods of use
  申请人：Schering Corporation

  公开号：US05665726A1

  公开（公告）日：1997-09-09

  Derivatives of benzo[5,6]cyclohepta pyridine, and pharmaceutically acceptable salts and solvates thereof are disclosed, which possess anti-allergic and anti-inflammatory activity. Methods for preparing and using the compounds are also described.

  公开了苯并[5,6]环庚吡啶及其药学上可接受的盐和溶剂的衍生物，具有抗过敏和抗炎活性。还描述了制备和使用这些化合物的方法。
• Benzo[5,6]cycloheptapyridine compounds, compositions and method of
  申请人：Schering Corporation

  公开号：US05089496A1

  公开（公告）日：1992-02-18

  Derivatives of benzo[5,6]cyclohepta pyridine, and pharmaceutically acceptable salts and solvates thereof are disclosed, which possess anti-allergic and anti-inflammatory activity. Methods for preparing and using the compounds are also described.

  本发明涉及苯并[5,6]环庚吡啶的衍生物，以及其药学上可接受的盐和溶剂化物，其具有抗过敏和抗炎活性。同时也描述了制备和使用该化合物的方法。
• EP0396083A1
  申请人：——

  公开号：EP0396083A1

  公开（公告）日：1990-11-07
• Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use
  申请人：SCHERING CORPORATION

  公开号：EP0396083B1

  公开（公告）日：1994-11-30
• HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE
  申请人：SCHERING CORPORATION

  公开号：EP0471750A1

  公开（公告）日：1992-02-26