N-(4-{[3-amino-4-(methylamino)phenyl]oxy}pyridin-2-yl)-1-methylpiperidine-4-carboxamide | 850713-45-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-{[3-amino-4-(methylamino)phenyl]oxy}pyridin-2-yl)-1-methylpiperidine-4-carboxamide
• 英文别名: N-[4-[3-amino-4-(methylamino)phenoxy]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
• CAS: 850713-45-0
• 化学式: C₁₉H₂₅N₅O₂
• 分子量: 355.44
• InChiKey: AVUGHMJPRVVEDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  92.5
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-{[3-amino-4-(methylamino)phenyl]oxy}pyridin-2-yl)-1-methylpiperidine-4-carboxamide 在 iron(III) chloride 作用下， 以 甲醇 为溶剂， 生成 N-[4-({2-[(3-tert-butylphenyl)amino]-1-methyl-1H-benzimidazol-5-yl}oxy)pyridin-2-yl]-1-methylpiperidine-4-carboxamide
  参考文献：
  名称：

  Design and Synthesis of Orally Bioavailable Benzimidazole Reverse Amides as Pan RAF Kinase Inhibitors

  摘要：

  Benzimidazole reverse amides were designed and synthesized as Pan RAF kinase inhibitors. Investigation of the structure-activity relationship of the compounds revealed that they were potent in vitro and exhibited desirable in vivo properties.

  DOI：

  10.1021/ml5002272
• 作为产物：
  描述：

  1-methyl-N-(4-{[4-(methylamino)-3-nitrophenyl]oxy}pyridin-2-yl)piperidine-4-carboxamide 在 Lindlars catalyst 作用下， 以 甲醇 为溶剂， 以to yield N-(4-{[3-amino-4-(methylamino)phenyl]oxy}pyridin-2-yl)-1-methylpiperidine-4-carboxamide的产率得到N-(4-{[3-amino-4-(methylamino)phenyl]oxy}pyridin-2-yl)-1-methylpiperidine-4-carboxamide
  参考文献：
  名称：

  Substituted benzazoles and methods of their use as inhibitors of Raf kinase

  摘要：

  提供了一种新的取代苯并唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种额外的药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。

  公开号：

  US07423150B2

文献信息

• [EN] SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE<br/>[FR] BENZAZOLES SUBSTITUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA RAF KINASE
  申请人：CHIRON CORP

  公开号：WO2005037273A1

  公开（公告）日：2005-04-28

  New substituted benzazole compounds of formula (I), compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供式(I)的新取代苯并咪唑化合物、组合物和用于抑制人或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• Substituted benzazoles and methods of their use as inhibitors of Raf kinase
  申请人：Costales Abran

  公开号：US20050192287A1

  公开（公告）日：2005-09-01

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了一种新的替代苯并唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase
  申请人：COSTALES Abran

  公开号：US20090035309A1

  公开（公告）日：2009-02-05

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  本发明提供了新的取代苯并咪唑化合物、组合物和抑制人或动物体内Raf激酶活性的方法。这些新化合物组合物可以单独使用或与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• Substituted benzazoles and methods of their use as inhibitors of RAF Kinase
  申请人：Costales Abran

  公开号：US08415382B2

  公开（公告）日：2013-04-09

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的取代苯并咪唑化合物、组合物和抑制人或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用或与至少一种额外的药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE
  申请人：Costales Abran

  公开号：US20130224195A1

  公开（公告）日：2013-08-29

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的取代苯并咪唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用或与至少一种额外的药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。