(1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxylic acid
• 英文别名: (1S,2S)-2-[(3-Chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxylic acid；(1S,2S)-2-(3-chloro-4-cyclopropyloxybenzoyl)cyclopropane-1-carboxylic acid
• 化学式: C₁₄H₁₃ClO₄
• 分子量: 280.708
• InChiKey: ABCBVIRRMUTQRP-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxylic acid 在 ammonium hydroxide 、 1-羟基苯并三唑 、 1,2-二氯乙烷 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.25h， 以22%的产率得到(1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxamide
  参考文献：
  名称：

  [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  本文描述了某些化合物，或其药学上可接受的盐或前药、含有这些化合物的药物组合物以及治疗对抑制KMO活性有反应的某些疾病和障碍患者的方法，这些方法包括向此类患者施用至少一种本文所述的化合物，或其药学上可接受的盐或前药的有效量，以减轻疾病或障碍的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。

  公开号：

  WO2013151707A1
• 作为产物：
  描述：

  4-溴-2-氯苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium phosphate monohydrate 、 potassium acetate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 8.25h， 生成 (1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxylic acid
  参考文献：
  名称：

  [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  本文描述了某些化合物，或其药学上可接受的盐或前药、含有这些化合物的药物组合物以及治疗对抑制KMO活性有反应的某些疾病和障碍患者的方法，这些方法包括向此类患者施用至少一种本文所述的化合物，或其药学上可接受的盐或前药的有效量，以减轻疾病或障碍的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。

  公开号：

  WO2013151707A1

文献信息

• KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：CHDI FOUNDATION, INC.

  公开号：US20150057238A1

  公开（公告）日：2015-02-26

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein 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 compound, or pharmaceutically acceptable salt or prodrug thereof, described herein 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 compound, or pharmaceutically acceptable salt or prodrug thereof, described herein as a single active agent or administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化合物，或其药学上可接受的盐或前药。还提供了包含至少一种化合物或其药学上可接受的盐或前药及一种或多种药学上可接受的载体的制药组合物。本文描述了治疗对KMO活性抑制有反应的某些疾病和障碍的患者的方法，包括向这些患者施用至少一种本文所述的化合物或其药学上可接受的盐或前药的有效量，以减少疾病或障碍的症状。这些疾病包括神经退行性疾病，如亨廷顿病。本文还描述了治疗方法，包括将至少一种本文所述的化合物或其药学上可接受的盐或前药作为单一活性剂施用，或将至少一种本文所述的化合物或其药学上可接受的盐或前药与一种或多种其他治疗剂联合施用。还提供了筛选能够抑制KMO活性的化合物的方法。
• Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof
  申请人：CHDI Foundation, Inc.

  公开号：US10442782B2

  公开（公告）日：2019-10-15

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein 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 compound, or pharmaceutically acceptable salt or prodrug thereof, described herein 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 compound, or pharmaceutically acceptable salt or prodrug thereof, described herein as a single active agent or administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化合物或其药学上可接受的盐或原药。还提供了包含至少一种本文所述化合物或其药学上可接受的盐或原药以及一种或多种药学上可接受的载体的药物组合物。描述了治疗对抑制 KMO 活性有反应的某些疾病和失调患者的方法，其中包括向此类患者施用一定量的本文所述的至少一种化合物或其药学上可接受的盐或原药，以有效减少疾病或失调的体征或症状。这些疾病包括神经退行性疾病，如亨廷顿氏病。还描述了治疗方法，包括将本文所述的至少一种化合物或其药学上可接受的盐或原药作为单一活性剂给药，或将本文所述的至少一种化合物或其药学上可接受的盐或原药与一种或多种其它治疗剂联合给药。还提供了筛选能够抑制 KMO 活性的化合物的方法。
• US9822058B2
  申请人：——

  公开号：US9822058B2

  公开（公告）日：2017-11-21
• [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI FOUNDATION INC

  公开号：WO2013151707A1

  公开（公告）日：2013-10-10

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, pharmaceutical compositions comprising the same and 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 compound, or pharmaceutically acceptable salt or prodrug thereof described herein, effective to reduce signs or symptoms of the disease or disorder. These diseases include neurodegenerative disorders such as Huntington's disease.

  本文描述了某些化合物，或其药学上可接受的盐或前药、含有这些化合物的药物组合物以及治疗对抑制KMO活性有反应的某些疾病和障碍患者的方法，这些方法包括向此类患者施用至少一种本文所述的化合物，或其药学上可接受的盐或前药的有效量，以减轻疾病或障碍的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。