2-amino-3,4-dimethylphenyl-3-nitro-4-pyridinylsulfide | 239791-57-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-amino-3,4-dimethylphenyl-3-nitro-4-pyridinylsulfide
• 英文别名: 2,3-Dimethyl-6-(3-nitropyridin-4-yl)sulfanylaniline
• CAS: 239791-57-2
• 化学式: C₁₃H₁₃N₃O₂S
• 分子量: 275.331
• InChiKey: AIULBXZOSHDIBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯-3-硝基吡啶 、 2-氨基-3,4-二甲基苯硫醇 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-amino-3,4-dimethylphenyl-3-nitro-4-pyridinylsulfide
  参考文献：
  名称：

  Heterocyclic-ring condensed benzothiazine compound

  摘要：

  该发明提供了一种新型的杂环环扎缩苯并噻嗪化合物，对于预防或治疗组织胺、白三烯等参与的疾病有效。本发明的杂环环扎缩苯并噻嗪化合物或其药理学上可接受的盐对于预防或治疗组织胺、白三烯等化学介质参与的疾病（例如哮喘、过敏性鼻炎、特应性皮炎、荨麻疹、花粉热、胃肠道过敏、食物过敏等）有效。此外，本发明的杂环环扎缩苯并噻嗪化合物、其药理学上可接受的盐或其水合物由以下公式表示：在该公式中，环Het代表不饱和杂环环；R1和R2相同或不同，每个代表卤素原子、可能被卤素原子取代的较低烷基基团、可能被卤素原子取代的较低烷氧基团、较低烷基较低烷氧基团、氰基；D代表可能有取代基的较低烷基基团等；Q代表，例如，式—NR20R2（在该式中，R20和R21相同或不同，每个代表氢原子、可能被卤素原子取代的较低烷基基团、可能有取代基的芳基团、可能有取代基的芳基烷基团、可能有取代基的杂芳基团或可能有取代基的杂芳基烷基团，或者R20和R21可以与它们结合的氮原子一起形成3-至8-成员环）；x代表1到2的整数。

  公开号：

  US06583138B1

文献信息

• HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP1057830A1

  公开（公告）日：2000-12-06

  The invention provides a novel heterocyclic ring condensed benzothiazine compound which is effective for prevention or remedy of disease, in which histamine, leukotriene and the like participate. The heterocyclic ring condensed benzothiazine compound of the present invention or a pharmacologically acceptable salt thereof is effective for prevention or remedy of disease, in which a chemical mediator, such as histamine, leukotriene and the like, participate, for example, asthma, allergic coryza, atopic dermatitis, hives, hay fever, gastrointestinal allergy, food allergy and the like. Further, the heterocyclic ring condensed benzothiazine compound of the present invention, its pharmacologically acceptable salt or hydrates thereof is represented by the following formula: In the formula, the ring Het represents an unsaturated heterocyclic ring; R1 and R2 are the same as or different from each other, and each represents halogen atom, a lower alkyl group that may be substituted with a halogen atom, a lower alkoxy group that may be substituted with a halogen atom, a lower alkyl lower alkoxy group, cyano group; D represents a lower alkylene group and the like that may have a substituent; Q represents, for example, the formula -NR20R21 (in the formula, R20 and R21 are the same as or different from each other, and each represents hydrogen atom, a lower alkyl group that may be substituted with a halogen atom, an aryl group that may have a substituent, an arylalkyl group that may have a substituent, a heteroaryl group that may have a substituent or a heteroarylalkyl group that may have a substituent, or R20 and R21 may form a 3- to 8-membered ring along with the nitrogen atom to which they are bound); and x represents an integer of from 1 to 2.

  本发明提供了一种新型杂环缩合苯并噻嗪化合物，可有效预防或治疗组胺、白三烯等参与的疾病。本发明的杂环缩合苯并噻嗪化合物或其药理学上可接受的盐可有效预防或治疗化学介质（如组胺、白三烯等）参与的疾病，如哮喘、过敏性苍白喉、特应性皮炎、荨麻疹、花粉症、胃肠道过敏、食物过敏等。此外，本发明的杂环缩合苯并噻嗪化合物、其药理学上可接受的盐或其水合物由下式表示： 式中，环 Het 代表不饱和杂环；R1 和 R2 彼此相同或不同，各自代表卤原子、可被卤原子取代的低级烷基、可被卤原子取代的低级烷氧基、低级烷基低级烷氧基、氰基；D 代表可具有取代基的低级亚烷基等；Q 代表例如式-NR20R21（式中，R20 和 R21 彼此相同或不同，且各自代表氢原子、可被卤素原子取代的低级烷基、可具有取代基的芳基、可具有取代基的芳烷基、可具有取代基的杂芳基或可具有取代基的杂芳基烷基，或 R20 和 R21 可与它们结合的氮原子一起形成 3 至 8 元环）；x 代表 1 至 2 的整数。
• US6583138B1
  申请人：——

  公开号：US6583138B1

  公开（公告）日：2003-06-24
• Heterocyclic-ring condensed benzothiazine compound
  申请人：Eisai Co., Ltd.

  公开号：US06583138B1

  公开（公告）日：2003-06-24

  The invention provides a novel heterocyclic ring condensed benzothiazine compound which is effective for prevention or remedy of disease, in which histamine, leukotriene and the like participate. The heterocyclic ring condensed benzothiazine compound of the present invention or a pharmacologically acceptable salt thereof is effective for prevention or remedy of disease, in which a chemical mediator, such as histamine, leukotriene and the like, participate, for example, asthma, allergic coryza, atopic dermatitis, hives, hay fever, gastrointestinal allergy, food allergy and the like. Further, the heterocyclic ring condensed benzothiazine compound of the present invention, its pharmacologically acceptable salt or hydrates thereof is represented by the following formula: In the formula, the ring Het represents an unsaturated heterocyclic ring; R1 and R2 are the same as or different from each other, and each represents halogen atom, a lower alkyl group that may be substituted with a halogen atom, a lower alkoxy group that may be substituted with a halogen atom, a lower alkyl lower alkoxy group, cyano group; D represents a lower alkylene group and the like that may have a substituent; Q represents, for example, the formula —NR20R2 (in the formula, R20 and R21 are the same as or different from each other, and each represents hydrogen atom, a lower alkyl group that may be substituted with a halogen atom, an aryl group that may have a substituent, an arylalkyl group that may have a substituent, a heteroaryl group that may have a substituent or a heteroarylalkyl group that may have a substituent, or R20 and R21 may form a 3- to 8-membered ring along with the nitrogen atom to which they are bound); and x represents an integer of from 1 to 2.

  该发明提供了一种新型的杂环环扎缩苯并噻嗪化合物，对于预防或治疗组织胺、白三烯等参与的疾病有效。本发明的杂环环扎缩苯并噻嗪化合物或其药理学上可接受的盐对于预防或治疗组织胺、白三烯等化学介质参与的疾病（例如哮喘、过敏性鼻炎、特应性皮炎、荨麻疹、花粉热、胃肠道过敏、食物过敏等）有效。此外，本发明的杂环环扎缩苯并噻嗪化合物、其药理学上可接受的盐或其水合物由以下公式表示：在该公式中，环Het代表不饱和杂环环；R1和R2相同或不同，每个代表卤素原子、可能被卤素原子取代的较低烷基基团、可能被卤素原子取代的较低烷氧基团、较低烷基较低烷氧基团、氰基；D代表可能有取代基的较低烷基基团等；Q代表，例如，式—NR20R2（在该式中，R20和R21相同或不同，每个代表氢原子、可能被卤素原子取代的较低烷基基团、可能有取代基的芳基团、可能有取代基的芳基烷基团、可能有取代基的杂芳基团或可能有取代基的杂芳基烷基团，或者R20和R21可以与它们结合的氮原子一起形成3-至8-成员环）；x代表1到2的整数。