3-[(3-chlorophenyl)thiomethyl]-2-cyanopyridine | 126570-66-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-[(3-chlorophenyl)thiomethyl]-2-cyanopyridine
• 英文别名: 2-CYANO-3-(3-CHLOROPHENYLTHIOMETHYL)PYRIDINE；3-[(3-chlorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
• CAS: 126570-66-9
• 化学式: C₁₃H₉ClN₂S
• 分子量: 260.747
• InChiKey: NUDWKSIYWTZGSN-UHFFFAOYSA-N

物化性质

• 沸点：
  432.7±45.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-氰基-3-甲基吡啶 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 sodium methylate 作用下， 以 甲醇 、 四氯化碳 为溶剂， 生成 3-[(3-chlorophenyl)thiomethyl]-2-cyanopyridine
  参考文献：
  名称：

  Benzopyrido piperidine, piperidylidene and piperazine compounds,

  摘要：

  揭示了一种新型苯并吡啶二烯、吡啶基亚烯和哌嗪化合物，其广义化学式为##STR1##，用于治疗哮喘、过敏和炎症。还公开了含有这些化合物的新型药物组合物以及生产这些化合物的方法。

  公开号：

  US05104876A1

文献信息

• Benzopyrido piperidylidene compounds, compositions, methods of
  申请人：Schering Corporation

  公开号：US05430032A1

  公开（公告）日：1995-07-04

  Disclosed is a compound of Formula I: ##STR1## 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.

  揭示的是Formula I的化合物：##STR1##或其药学上可接受的盐或溶剂，其中：R选自以下组：H、Cl、Br、F和I；T代表C或N，当T为C时，与T连接的虚线表示双键，当T为N时则不存在；X代表O或S，但T为N时X为O。还揭示了一种包括Formula I的化合物和药学上可接受的载体的药物组合物。进一步揭示了一种治疗哮喘、过敏和/或炎症的方法，包括向需要此类治疗的哺乳动物分别给予Formula I的化合物的抗哮喘、抗过敏和/或抗炎症有效量。
• 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