4'-cyano-6-methyl-biphenyl-3-carboxylic acid | 956699-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-cyano-6-methyl-biphenyl-3-carboxylic acid
• 英文别名: 4'-cyano-6-methylbiphenyl-3-carboxylic acid；3-(4-cyanophenyl)-4-methylbenzoic acid
• CAS: 956699-04-0
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: DTEOOJCKJQMAES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-cyano-6-methyl-biphenyl-3-carboxylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS

  摘要：

  公开号：

  EP2162190B1
• 作为产物：
  描述：

  3-碘-4-甲基苯甲酸 在 potassium fluoride 、 硫酸 、 水 、 palladium diacetate 、 sodium hydroxide 、 2-(二环己基膦基)联苯 作用下， 以 1,4-二氧六环 为溶剂， 反应 90.0h， 生成 4'-cyano-6-methyl-biphenyl-3-carboxylic acid
  参考文献：
  名称：

  BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS

  摘要：

  公开号：

  EP2162190B1

文献信息

• BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS
  申请人：Dierks Christine

  公开号：US20100197659A1

  公开（公告）日：2010-08-05

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  该发明提供了一种调节刺猬信号通路活性的方法。具体来说，该发明提供了一种抑制由于Ptc功能丧失、刺猬功能增强、smoothened功能增强或Gli功能增强等表型引起的异常生长状态的方法，包括将细胞与化合物I式的足够量接触。
• COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS
  申请人：Gao Wenqi

  公开号：US20090203666A1

  公开（公告）日：2009-08-13

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  本发明提供了一种调节刺猬信号通路活性的方法。具体而言，本发明提供了一种通过接触细胞与化合物I的足够量来抑制由于Ptc功能缺失、刺猬功能增强、平滑蛋白功能增强或Gli功能增强等表型引起的异常生长状态的方法。
• Biphenylcarboxamide derivatives as hedgehod pathway modulators
  申请人：Dierks Christine

  公开号：US08507471B2

  公开（公告）日：2013-08-13

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  本发明提供了一种调节刺猬信号通路活性的方法。具体而言，本发明提供了一种抑制由Ptc功能丧失、刺猬功能增强、平滑肌增强或Gli功能增强等表型引起的异常生长状态的方法，包括将一种式I化合物的足够量与细胞接触。
• Smoothened antagonism for the treatment of hedgehog pathway-related disorders
  申请人：Novartis AG

  公开号：EP2617414A2

  公开（公告）日：2013-07-24

  The invention provides methods for modulating, e.g., antagonizing, the activity of the Hedgehog signaling pathway, and for treating Hedgehog related disorders such as cancers (e.g., medulloblastoma). In particular, the invention provides methods for inhibiting aberrant growth states resulting from phenotypes such as Ptch loss-of function, Hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function by administering to a mammal combinations of Smoothened inhibitors (e.g., a compound of Formula I, Formula II, or Formula III, or any of the compounds listed herein or incorporated by reference) and Gli inhibitors, and/or Phosphatidylinositol 3-kinase (PI3K) inhibitors.

  本发明提供了调节（如拮抗）刺猬信号通路活性的方法，以及治疗刺猬相关疾病如癌症（如髓母细胞瘤）的方法。特别是，本发明提供了通过向哺乳动物施用 Smoothened 抑制剂（例如，式 I、式 II 或式 III 的化合物，或本文所列或通过参考文献并入的任何化合物）和 Gli 抑制剂和/或磷脂酰肌醇 3- 激酶（PI3K）抑制剂的组合，抑制表型（如 Ptch 功能缺失、刺猬蛋白功能增益、smoothened 功能增益或 Gli 功能增益）导致的异常生长状态的方法。
• SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS
  申请人：Novartis AG

  公开号：EP3023097A1

  公开（公告）日：2016-05-25

  The invention provides methods for modulating, e.g., antagonizing, the activity of the Hedgehog signaling pathway, and for treating Hedgehog related disorders such as cancers (e.g., medulloblastoma). In particular, the invention provides methods for inhibiting aberrant growth states resulting from phenotypes such as Ptch loss-of-function, Hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function by administering to a mammal combinations of Smoothened inhibitors (e.g., a compound of Formula I, Formula II, or Formula III, or any of the compounds listed herein or incorporated by reference) and Gli inhibitors, and/or Phosphatidylinositol 3-kinase (PI3K) inhibitors.

  本发明提供了调节（如拮抗）刺猬信号通路活性的方法，以及治疗刺猬相关疾病如癌症（如髓母细胞瘤）的方法。特别是，本发明提供了通过向哺乳动物施用 Smoothened 抑制剂（例如，式 I、式 II 或式 III 的化合物，或本文所列或通过参考文献并入的任何化合物）和 Gli 抑制剂和/或磷脂酰肌醇 3- 激酶（PI3K）抑制剂的组合，抑制表型如 Ptch 功能缺失、Hedgehog 功能增益、smoothened 功能增益或 Gli 功能增益所导致的异常生长状态的方法。