4-(8-Chloro-5,11-dihydro-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-1-methylpiperidine | 126570-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 4-(8-Chloro-5,11-dihydro-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-1-methylpiperidine
• 英文别名: 4-(8-Chloro-5,11-dihydro[1]benzothiepino[4,3-b]pyridin-11-ylidene)-1-methyl-piperidine；1-METHYL-4-(8-CHLORO-5,11-DIHYDRO[1]BENZOTHIEPINO[4,3-b]PYRIDIN-11-YLIDENE)PIPERIDINE；8-chloro-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzothiepino[4,3-b]pyridine
• CAS: 126570-68-1
• 化学式: C₁₉H₁₉ClN₂S
• 分子量: 342.892
• InChiKey: ZPBWXOWWSDZFJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 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：

  4-(8-Chloro-5,11-dihydro-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-1-methylpiperidine 在 氢氧化钾 、 氯甲酸乙酯 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 1-[4-(8-chloro-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)sulfanylethanone
  参考文献：
  名称：

  Inhibitors of farnesyl protein transferase. synthesis and biological activity of amide and cyanoguanidine derivatives containing a 5,11-dihydro[1]benzthiepin, benzoxepin, and benzazepin [4,3-b]pyridine ring system

  摘要：

  Bioisosteric replacement of the C-6 carbon atom in piperidine I and piperazine II with S, O, and N heteroatoms is described. Amide and cyanoguanidine derivatives of these compounds were evaluated in vitro and found to be good inhibitors of farnesyl-protein transferase. An improved method of preparing the 5,11-dihydro-[1]-benzthiepin nucleus 6 was accomplished in high yield and with excellent regioselectivity using an AlCl3 melt protocol. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00439-9
• 作为产物：
  描述：

  3-[(3-chlorophenyl)thiomethyl]-2-cyanopyridine 在 三氯化铝 、 乙酸酐 、 溶剂黄146 、 乙酰氯 作用下， 反应 20.5h， 生成 4-(8-Chloro-5,11-dihydro-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-1-methylpiperidine
  参考文献：
  名称：

  Inhibitors of farnesyl protein transferase. synthesis and biological activity of amide and cyanoguanidine derivatives containing a 5,11-dihydro[1]benzthiepin, benzoxepin, and benzazepin [4,3-b]pyridine ring system

  摘要：

  Bioisosteric replacement of the C-6 carbon atom in piperidine I and piperazine II with S, O, and N heteroatoms is described. Amide and cyanoguanidine derivatives of these compounds were evaluated in vitro and found to be good inhibitors of farnesyl-protein transferase. An improved method of preparing the 5,11-dihydro-[1]-benzthiepin nucleus 6 was accomplished in high yield and with excellent regioselectivity using an AlCl3 melt protocol. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00439-9

文献信息

• Bis-benzo or benzopyrido cyclohepta piperidene, piperidylidene and
  申请人：Schering Corporation

  公开号：US05422351A1

  公开（公告）日：1995-06-06

  Bis-benzo or benzopyrido piperidene, piperidylidene and piperazine compounds of the formula: ##STR1## and pharmaceutically acceptable salts thereof are disclosed, wherein Z represents --(C(R.sup.a).sub.2).sub.m --Y--(C(R.sup.a).sub.2).sub.n -- or ##STR2## The compounds of Formula I possess anti-allergic and anti-inflammatory activity. Methods for preparing and using the compounds are also described.

  本发明揭示了一种具有以下结构的双苯或苯并吡啶哌啶烯，哌啶基亚甲基和哌嗪类化合物的药用盐：其中Z代表--(C(R^a)_2)_m--Y--(C(R^a)_2)_n--或##STR2##。式I的化合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。
• Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use
  申请人：SCHERING CORPORATION

  公开号：EP0341860A1

  公开（公告）日：1989-11-15

  Novel benzopyrido piperidine, piperidylidene and piperazine compounds of the generalized formula are disclosed as useful for the treatment of asthma, allergy and inflammation. Novel pharmaceutical compositions containing such compounds and processes for producing the compounds are also disclosed.

  通式为哌啶、亚哌啶和哌嗪的新型苯并吡啶化合物 公开了可用于治疗哮喘、过敏和炎症的新型苯并吡啶哌啶、亚哌啶和哌嗪化合物。此外，还公开了含有此类化合物的新型药物组合物以及生产此类化合物的工艺。
• Benzopyrido piperidylidene compounds as PAF antagonists
  申请人：SCHERING CORPORATION

  公开号：EP0524784A1

  公开（公告）日：1993-01-27

  Disclosed is a compound of Formula I: or a pharmaceutically acceptable salt or solvate thereof, wherein: R is selected from the group consisting of: H, Cl, Br, F, and I; T represents C or N with the dotted line attached to T representing a double bond when T is C and being absent when T is N; and X represents O or S with the proviso that T is N when X is O. Also disclosed is a pharmaceutical composition comprising a compound of Formula I and a pharmaceutically acceptable carrier. Further disclosed is a method of treating asthma, allergy and/or inflammation comprising administering to a mammal in need of such treatment an anti-asthmatic, anti-allergic and/or an anti-inflammatory, respectively, effective amount of a compound of Formula I.

  公开了一种式 I 的化合物： 或其药学上可接受的盐或溶液，其中R 选自以下组成的组H、Cl、Br、F 和 I；T 代表 C 或 N，当 T 为 C 时，T 上的虚线代表双键，当 T 为 N 时，不代表双键；X 代表 O 或 S，但当 X 为 O 时，T 为 N。 还公开了一种药物组合物，它包含式 I 的化合物和药学上可接受的载体。 进一步公开了一种治疗哮喘、过敏和/或炎症的方法，包括向需要治疗的哺乳动物分别施用有效量的式Ⅰ化合物来抗哮喘、抗过敏和/或抗炎。
• TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS
  申请人：SCHERING CORPORATION

  公开号：EP1021448B1

  公开（公告）日：2003-05-02
• NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE
  申请人：SCHERING CORPORATION

  公开号：EP0411048A1

  公开（公告）日：1991-02-06