2-[3-(3,4-dichlorophenyl)-4,5-dihydroisoxazol-4-yl]-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone | 1207728-01-5

• 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: 2-[3-(3,4-dichlorophenyl)-4,5-dihydroisoxazol-4-yl]-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
• 英文别名: 2-[3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
• CAS: 1207728-01-5
• 化学式: C₁₈H₁₅Cl₂N₃O₂
• 分子量: 376.242
• InChiKey: DACNGQKFTWMZHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] CERTAINS INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI INC

  公开号：WO2010017132A1

  公开（公告）日：2010-02-11

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化学实体。还提供了包括至少一种化学实体和一种或多种药用载体的药物组合物。描述了治疗对KMO活性抑制产生反应的患有某些疾病和疾病的患者的方法，包括向这些患者施用至少一种有效减少疾病或疾病症状的化学实体的数量。这些疾病包括亨廷顿病等神经退行性疾病。还描述了治疗方法，包括单独使用至少一种化学实体或将至少一种化学实体与一种或多种其他治疗剂结合使用。还提供了筛选能够抑制KMO活性的化合物的方法。
• CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Wityak John

  公开号：US20120329812A1

  公开（公告）日：2012-12-27

  Certain chemical entities are provided herein. Also provided are pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one chemical entity as a single active agent or administering at least one chemical entity in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化学实体。还提供了包含至少一种化学实体和一个或多个药用载体的制药组合物。本文描述了治疗对抑制KMO活性有反应的某些疾病和疾病的患者的方法，包括向这些患者施用至少一种化学实体的有效量以减轻疾病或疾病的症状或迹象。这些疾病包括神经退行性疾病，如亨廷顿病。还描述了治疗方法，包括将至少一种化学实体作为单一活性剂或与一个或多个其他治疗剂联合使用。还提供了筛选抑制KMO活性的化合物的方法。