6-(3-chlorophenyl)pyrimidine-4-carboxylic acid | 1207723-49-6

• 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: 6-(3-chlorophenyl)pyrimidine-4-carboxylic acid
• CAS: 1207723-49-6
• 化学式: C₁₁H₇ClN₂O₂
• 分子量: 234.642
• InChiKey: OCKHUINBVQJYAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(3-chlorophenyl)pyrimidine-4-carboxylic acid 在 potassium tert-butylate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 4-(3-chlorophenyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine
  参考文献：
  名称：

  [EN] CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] CERTAINS INHIBITEURS DE KYNURÉNINE-3-MONO-OXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  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。

  公开号：

  WO2013016488A1
• 作为产物：
  描述：

  6-(3-chlorophenyl)pyrimidine-4-carboxylic acid methyl ester 在 甲醇 、 sodium hydroxide 作用下， 反应 4.0h， 生成 6-(3-chlorophenyl)pyrimidine-4-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 CES COMPOSITIONS

  摘要：

  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，包括向这些患者施用至少一种化学实体的有效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，包括将至少一种化学实体作为单一活性剂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。

  公开号：

  WO2013033068A1

文献信息

• [EN] HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN<br/>[FR] COMPOSÉS HÉTÉROBIARYLES ET AGENTS D'IMAGERIE POUR L'IMAGERIE DE LA PROTÉINE HUNTINGTINE
  申请人：CHDI FOUNDATION INC

  公开号：WO2022031946A1

  公开（公告）日：2022-02-10

  Provided herein are compounds of Formula I and imaging agents useful for detecting a disease or condition associated with protein aggregation, compositions thereof, and methods of their use.

  本文提供了公式I的化合物和用于检测与蛋白聚集相关的疾病或病况的成像剂，以及相关的组合物和使用方法。
• [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：WO2011091153A1

  公开（公告）日：2011-07-28

  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用可接受载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和紊乱的方法，包括向这些患者施用至少一种化学实体的有效量以减少疾病或紊乱的症状或体征。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个或多个其他治疗药剂结合使用。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：US09145373B2

  公开（公告）日：2015-09-29

  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个化学实体和一个或多个药用可接受载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的有效量，以减少疾病或疾病的症状。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：Dominguez Celia

  公开号：US20130029988A1

  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个或多个药用载体的制药组合物。描述了治疗对KMO活性抑制有反应的某些疾病和障碍的方法，包括向这些患者施用至少一种化学实体的有效剂量，以减轻疾病或障碍的迹象或症状。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。还提供了筛选具有抑制KMO活性能力的化合物的方法。
• KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Courtney Stephen Martin

  公开号：US20160251318A1

  公开（公告）日：2016-09-01

  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。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，其中包括向这些患者施用至少一种化学实体的有效量，以减轻疾病或障碍的症状。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药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。此外，还提供了筛选能够抑制KMO活性的化合物的方法。