3-[5-chloro-2-(1-propylthio)phenyl]-1,3-dihydro-3-fluoro-6-(trifluoromethyl)-2H-indol-2-one | 452083-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[5-chloro-2-(1-propylthio)phenyl]-1,3-dihydro-3-fluoro-6-(trifluoromethyl)-2H-indol-2-one
• 英文别名: 3-(5-chloro-2-propylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
• CAS: 452083-01-1
• 化学式: C₁₈H₁₄ClF₄NOS
• 分子量: 403.828
• InChiKey: VGOIYONPFBLHPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Modulators of KCNQ potassium channels and use thereof in treating migraine and mechanistically related diseases
  申请人：——

  公开号：US20020128277A1

  公开（公告）日：2002-09-12

  Compounds which function as modulators, particularly, openers, of human KCNQ potassium channel proteins or polypeptides, particularly, central nervous system (CNS)-located KCNQ potassium channels, and heteromultimers thereof, and their use in the treatment of migraine are provided by the present invention. One novel type of potassium channel polypeptide openers provided by the present invention is the fluorooxindole compounds, described for the first time as therapeutics for the treatment of migraine by preventing the asynchronous firing of neurons. Other KCNQ potassium channel opener compounds that are also useful in the treatments of the invention include 2,4-disubstituted pyrimidine-5-carboxamide derivatives. One or more of the compounds according to the present invention may be utilized alone, in combination, or in conjunction with other treatment modalities for reducing, ameliorating and/or alleviating migraine or diseases similar to, or mechanistically related to, migraine, e.g., cluster headache.

  本发明提供了作为调节剂的化合物，特别是人类KCNQ钾通道蛋白或多肽的开放剂，特别是中枢神经系统（CNS）位于KCNQ钾通道和异源多聚体的开放剂，并且它们在偏头痛治疗中的应用。本发明提供的一种新型钾通道多肽开放剂是氟氧吲哚化合物，首次被描述为治疗偏头痛的治疗剂，通过防止神经元的异步放电。其他KCNQ钾通道开放剂化合物也适用于本发明的治疗，包括2,4-二取代嘧啶-5-羧酰胺衍生物。根据本发明的一个或多个化合物可以单独使用，组合使用，或与其他治疗方法一起使用，以减少，改善和/或缓解偏头痛或类似于偏头痛或机械机制相关的疾病，例如集群头痛。
• Fluoro oxindole derivatives as modulators of KCNQ potassium channels
  申请人：——

  公开号：US20020156120A1

  公开（公告）日：2002-10-24

  There is provided novel 3-fluoro-3-phenyl oxindole derivatives of Formula I 1 wherein R 1 , R 2 , R 3 and R 4 each are independently hydrogen, C 1-4 alkyl, halogen, fluoromethyl, trifluoromethyl, phenyl, 4-methylphenyl or 4-trifluoromethylphenyl; R 5 is C 1-6 alkyl optionally substituted with one to three same or different groups selected from fluoro and chloro, provided R 5 is not C 1-6 alkyl when Y is O; Y is O or S; and R 6 and R 7 each are independently hydrogen, chloro, bromo or trifluoromethy; which are openers of the KCNQ potassium channels and are useful in the treatment of disorders which are responsive to the opening of the KCNQ potassium channels.

  提供了一种新的式I1的3-氟-3-苯基吲哚衍生物，其中R1、R2、R3和R4各自独立地为氢、C1-4烷基、卤素、氟甲基、三氟甲基、苯基、4-甲基苯基或4-三氟甲基苯基；R5为C1-6烷基，可选地取代一到三个相同或不同的氟或氯基，但当Y为O时，R5不为C1-6烷基；Y为O或S；R6和R7各自独立地为氢、氯、溴或三氟甲基；它们是KCNQ钾通道的开放剂，可用于治疗对KCNQ钾通道开放有反应的疾病。
• US6469042B1
  申请人：——

  公开号：US6469042B1

  公开（公告）日：2002-10-22
• US6855829B2
  申请人：——

  公开号：US6855829B2

  公开（公告）日：2005-02-15