N-methyl[4-(1-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-benzimidazol-5-yloxy)(2-pyridyl)]carboxamide | 611214-16-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-methyl[4-(1-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-benzimidazol-5-yloxy)(2-pyridyl)]carboxamide
• 英文别名: 1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole；N-methyl-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
• CAS: 611214-16-5
• 化学式: C₂₂H₁₈F₃N₅O₂
• 分子量: 441.412
• InChiKey: NIYVAWAYJCPRAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 2-chloro-1,3-dimethyl imidazolium chloride 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以86%的产率得到N-methyl[4-(1-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-benzimidazol-5-yloxy)(2-pyridyl)]carboxamide
  参考文献：
  名称：

  One-pot synthesis of 2-aminobenzimidazoles using 2-chloro-1,3-dimethylimidazolinium chloride (DMC)

  摘要：

  2-Chloro-1,3-dimethylimidazolinium chloride (DMC or DMC-Cl) has been found to effectively and rapidly generate 2-aminobenzimidazoles from 1,2-diaminoarenes and isothiocyanates in moderate to good yields at room temperature in a one-pot operation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.177

文献信息

• Substituted benz-azoles and methods of their use as inhibitors of Raf kinase
  申请人：Amiri Payman

  公开号：US20070299039A1

  公开（公告）日：2007-12-27

  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，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 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：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。
• Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors
  作者：Savithri Ramurthy、Sharadha Subramanian、Mina Aikawa、Payman Amiri、Abran Costales、Jeff Dove、Susan Fong、Johanna M. Jansen、Barry Levine、Sylvia Ma、Christopher M. McBride、Jonah Michaelian、Teresa Pick、Daniel J. Poon、Sandhya Girish、Cynthia M. Shafer、Darrin Stuart、Leonard Sung、Paul A. Renhowe

  DOI：10.1021/jm801050k

  日期：2008.11.27

  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.
• SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP1499311B1

  公开（公告）日：2009-11-04