Ethyl 4-hydroxy-5-methoxy-2-(thiophene-2-carbonyl)benzoate | 1202895-64-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 4-hydroxy-5-methoxy-2-(thiophene-2-carbonyl)benzoate
• CAS: 1202895-64-4
• 化学式: C₁₅H₁₄O₅S
• 分子量: 306.339
• InChiKey: MIHYGLMZBWWMEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION
  申请人：Ishikawa Takehiro

  公开号：US20110172208A1

  公开（公告）日：2011-07-14

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 and R 2 are each hydrogen, lower acyl, lower alkoxycarbonyl or the like; R 3 is lower alkyl, halo-lower alkyl, cycloalkyl, heterocycloalkyl, optionally substituted aryl, optionally substituted heteroaryl or the like; R 4 is cyano, lower alkoxycarbonyl, carboxy or the like, which exhibit potent COMT inhibitory activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供了由通式（I）表示的化合物或其药学上可接受的盐，其中R1和R2分别为氢、低酰基、低烷氧羰基或类似基团；R3为低烷基、卤代低烷基、环烷基、杂环烷基、可选取代芳基、可选取代杂环芳基或类似基团；R4为氰基、低烷氧羰基、羧基或类似基团，这些化合物具有强效的COMT抑制活性。本发明还提供了含有该化合物的药物组合物及其用途。
• NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2305633A1

  公开（公告）日：2011-04-06

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R1 and R2 are each hydrogen, lower acyl, lower alkoxycarbonyl or the like; R3 is lower alkyl, halo-lower alkyl, cycloalkyl, heterocycloalkyl, optionally substituted aryl, optionally substituted heteroaryl or the like; R4 is cyano, lower alkoxycarbonyl, carboxy or the like, which exhibit potent COMT inhibitory activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供通式 (I) 所代表的化合物： 或其药物可接受盐，其中 R1 和 R2 分别为氢、低级酰基、低级烷氧基羰基或类似物；R3 为低级烷基、卤代低级烷基、环烷基、杂环烷基、任选取代的芳基、任选取代的杂芳基或类似物；R4 为氰基、低级烷氧基羰基、羧基或类似物，它们具有强效的 COMT 抑制活性。本发明还提供了含有所述化合物的药物组合物及其用途。
• US8258162B2
  申请人：——

  公开号：US8258162B2

  公开（公告）日：2012-09-04