4-[2-(4-bromophenylamino)-1-methyl-1H-benzimidazol-5-yloxy]pyridine-2-carboxylic acid | 611213-70-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[2-(4-bromophenylamino)-1-methyl-1H-benzimidazol-5-yloxy]pyridine-2-carboxylic acid
• 英文别名: 4-({2-[(4-bromophenyl)amino]-1-methyl-1H-benzimidazol-5-yl}oxy)-N-methylpyridine-2-carboxamide；4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide；4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
• CAS: 611213-70-8
• 化学式: C₂₁H₁₈BrN₅O₂
• 分子量: 452.31
• InChiKey: XLZSBGWFJTXBDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(3-amino-4-methylamino-phenoxy)-pyridine-2-carboxylic acid methylamide 、 4-溴苯基异硫氰酸酯 在 甲醇 、 碘甲烷 作用下， 以 甲醇 为溶剂， 反应 32.0h， 以60%的产率得到4-[2-(4-bromophenylamino)-1-methyl-1H-benzimidazol-5-yloxy]pyridine-2-carboxylic acid
  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

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。
• [EN] CRYSTALLINE FORMS OF C21H22CI2N4O2<br/>[FR] FORMES CRISTALLINES DE C21H22CI2N4O2
  申请人：BIOMED VALLEY DISCOVERIES INC

  公开号：WO2016123574A1

  公开（公告）日：2016-08-04

  The present invention provides crystalline forms of a compound of formula (I). Also provided are pharmaceutical compositions that include the provided crystalline forms and methods of using the provided crystalline forms and pharmaceutical compositions for the treatment of cancer. It has been discovered that crystalline forms of 4-(5-Chloro-2- isopropylaminopyridin-4-yl)-1 H-pyrrole-2-carboxylic acid [1 -(3-chlorophenyl)-2- hydroxyethyl]amide can be prepared which exhibit improved properties, e.g. surprisingly improved stability and improved solubility characteristics. Thus, the present invention provides crystalline 4-(5-Chloro-2- isopropylaminopyridin-4-yl)-1H-pyrrole-2-carboxylic acid [1 -(3-chlorophenyl)-2- hydroxyethyljamide.

  本发明提供了式（I）化合物的晶体形式。还提供了包括所提供的晶体形式的药物组合物以及使用所提供的晶体形式和药物组合物治疗癌症的方法。发现可以制备4-（5-氯-2-异丙基氨基吡啶-4-基）-1H-吡咯-2-羧酸[1-（3-氯苯基）-2-羟乙基]酰胺的晶体形式，其具有改进的特性，例如惊人的稳定性和改进的溶解性特性。因此，本发明提供了晶体4-（5-氯-2-异丙基氨基吡啶-4-基）-1H-吡咯-2-羧酸[1-（3-氯苯基）-2-羟乙基]酰胺。
• [EN] CRYSTALLINE C21H22C12N4O2 MALONATE<br/>[FR] MALONATE CRISTALLIN C21H22C12N4O2
  申请人：BIOMED VALLEY DISCOVERIES INC

  公开号：WO2016123581A1

  公开（公告）日：2016-08-04

  The present invention provides a malonate salt of a compound of formula (I), which is a crystalline salt. Also provided are pharmaceutical compositions that include the provided malonate salt and methods of using the provided crystalline forms and pharmaceutical compositions for the treatment of cancer.

  本发明提供了式(I)化合物的丙二酸盐，其为结晶盐。还提供了包括所提供的丙二酸盐的药物组合物以及使用所提供的结晶形式和药物组合物治疗癌症的方法。
• [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 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。