4-chloro-6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine | 1421335-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine
• 英文别名: 4-Chloro-6-[3-chloro-4-(cyclopropyloxy)phenyl]pyrimidine；4-chloro-6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine
• CAS: 1421335-56-9
• 化学式: C₁₃H₁₀Cl₂N₂O
• 分子量: 281.141
• InChiKey: QTPIEVKEHASHDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  35.01
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-chloro-6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 、 sodium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 50.0~55.0 ℃ 、551.59 kPa 条件下， 反应 15.0h， 生成 CHDI-340246 sodium salt
  参考文献：
  名称：

  [EN] SOLID FORMS OF A KYNURENINE-3-MONOOXYGENASE INHIBITOR
  [FR] FORMES SOLIDES D'UN INHIBITEUR DE LA KYNURÉNINE-3-MONOOXYGÉNASE

  摘要：

  6-(3-氯-4-环丙氧基苯基)嘧啶-4-羧酸（化合物I）的形式已在固态中制备并表征。还提供了制造该化合物形式以及其盐或共晶体的方法和使用方法。

  公开号：

  WO2020252047A1
• 作为产物：
  描述：

  4-溴-2-氯-1-环丙氧基苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 二甲基亚砜 为溶剂， 反应 6.0h， 生成 4-chloro-6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine
  参考文献：
  名称：

  [EN] SOLID FORMS OF A KYNURENINE-3-MONOOXYGENASE INHIBITOR
  [FR] FORMES SOLIDES D'UN INHIBITEUR DE LA KYNURÉNINE-3-MONOOXYGÉNASE

  摘要：

  6-(3-氯-4-环丙氧基苯基)嘧啶-4-羧酸（化合物I）的形式已在固态中制备并表征。还提供了制造该化合物形式以及其盐或共晶体的方法和使用方法。

  公开号：

  WO2020252047A1

文献信息

• [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 CES COMPOSITIONS
  申请人：COURTNEY STEPHEN MARTIN

  公开号：WO2013033085A1

  公开（公告）日：2013-03-07

  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活性抑制敏感的某些疾病和疾病的方法，包括向这些患者投与至少一种化学实体的有效量以减轻疾病或疾病症状的方法。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的方法。还提供了筛选能够抑制KMO活性的化合物的方法。
• [EN] CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] CERTAINS INHIBITEURS DE KYNURÉNINE-3-MONO-OXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：DOMINGUEZ CELIA

  公开号：WO2013016488A1

  公开（公告）日：2013-01-31

  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可接受载体的制药组合物。描述了治疗对KMO活性抑制敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的量，以减少疾病或疾病的体征或症状。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作为活性剂或与一种或多种其他治疗剂结合使用至少一种化学实体。还提供了筛选具有抑制KMO活性能力的化合物的方法。
• CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Dominguez Celia

  公开号：US20140329816A1

  公开（公告）日：2014-11-06

  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个或多个药学可接受载体的制药组合物。本文描述了治疗对KMO活性抑制有反应的某些疾病和疾病的患者的方法，包括向这些患者投予至少一种化学实体的数量，以减少疾病或疾病的体征或症状。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，包括单独使用至少一种化学实体作为活性剂，或与一个或多个其他治疗剂联合使用至少一种化学实体。还提供了筛选能够抑制KMO活性的化合物的方法。
• Solid forms of a kynurenine-3-monooxygenase inhibitor
  申请人：CHDI Foundation, Inc.

  公开号：US11173156B2

  公开（公告）日：2021-11-16

  Forms of 6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine-4-carboxylic acid (Compound I) were prepared and characterized in the solid state: Also provided are processes of manufacture and methods of using the forms of Compound I and salts or co-crystals thereof.

  制备了 6-(3-氯-4-环丙氧基苯基)嘧啶-4-羧酸（化合物 I）的固态形式，并对其进行了表征： 还提供了化合物 I 及其盐类或共晶体的制造工艺和使用方法。
• SOLID FORMS OF A KYNURENINE-3-MONOOXYGENASE INHIBITOR
  申请人：CHDI Foundation, Inc.

  公开号：US20200397782A1

  公开（公告）日：2020-12-24

  Forms of 6-(3-chloro-4-cyclopropoxyphenyl)pyrimidine-4-carboxylic acid (Compound I) were prepared and characterized in the solid state: Also provided are processes of manufacture and methods of using the forms of Compound I and salts or co-crystals thereof.