4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yl-oxy}pyridine-2-carboxylic acid | 611225-66-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yl-oxy}pyridine-2-carboxylic acid
• 英文别名: 4-{2-[(4-Bromophenyl)amino]-1-methylbenzimidazol-5-yloxy}pyridine-2-carboxylic acid；4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
• CAS: 611225-66-2
• 化学式: C₂₀H₁₅BrN₄O₃
• 分子量: 439.268
• InChiKey: GQMVTZBVAHIADQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  89.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yl-oxy}pyridine-2-carboxylic acid 在 氨 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yloxy}-pyridine-2-carboxamide
  参考文献：
  名称：

  Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors

  摘要：

  A series of arylaminobenzimidazoles was designed and synthesized as Raf kinase inhibitors. Exploration of the structure-activity relationship resulted in compounds that are potent in vitro and show desirable in vivo properties.

  DOI：

  10.1021/jm801050k
• 作为产物：
  描述：

  tert-butyl 4-(2-(4-bromophenylamino)-1-methyl-1H-benzo[d]imidazol-5-yloxy)picolinate 在 水 作用下， 以 三氟乙酸 为溶剂， 反应 4.0h， 生成 4-{2-[(4-bromophenyl)amino]-1-methylbenzimidazol-5-yl-oxy}pyridine-2-carboxylic acid
  参考文献：
  名称：

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

  摘要：

  提供了新的取代苯唑化合物、组成和抑制人或动物体内Raf激酶活性的方法。这些新化合物组成可以单独使用，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：

  US08299108B2

文献信息

• Substituted benzazoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040122237A1

  公开（公告）日：2004-06-24

  New substituted benz-azole 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.

  提供了新的替代苯唑化合物、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药物结合，用于治疗由Raf激酶介导的疾病，如癌症。
• Substituted benz-azoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040087626A1

  公开（公告）日：2004-05-06

  New substituted benz-azole 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。这些新的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 BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE
  申请人：Amiri Payman

  公开号：US20100196368A1

  公开（公告）日：2010-08-05

  New substituted benz-azole 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。新的化合物组成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：Novartis AG

  公开号：US08299108B2

  公开（公告）日：2012-10-30

  New substituted benz-azole 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.

  提供了新的取代苯唑化合物、组成和抑制人或动物体内Raf激酶活性的方法。这些新化合物组成可以单独使用，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。
• SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE
  申请人：Amiri Payman

  公开号：US20120288501A1

  公开（公告）日：2012-11-15

  New substituted benz-azole 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。这些新的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。