N-(3-((5-aminopyrazin-2-yl)methylamino)-4-methylphenyl)-3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide | 1186206-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(3-((5-aminopyrazin-2-yl)methylamino)-4-methylphenyl)-3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide
• 英文别名: N-[3-[(5-aminopyrazin-2-yl)methylamino]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
• CAS: 1186206-75-6
• 化学式: C₂₄H₂₂F₃N₇O
• 分子量: 481.48
• InChiKey: FTIQXGLMABXVTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 反应 6.0h， 以17 mg的产率得到N-(3-((5-aminopyrazin-2-yl)methylamino)-4-methylphenyl)-3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Discovery and structural analysis of Eph receptor tyrosine kinase inhibitors

  摘要：

  The Eph family of receptor tyrosine kinases has drawn growing attention due to their role in regulating diverse biological phenomena. However, pharmacological interrogation of Eph kinase function has been hampered by a lack of potent and selective Eph kinase inhibitors. Here we report the discovery of compounds 6 and 9 using a rationally designed kinase-directed library which potently inhibit Eph receptor tyrosine kinases, particularly EphB2 with cellular EC(50)s of 40 nM. Crystallographic data of EphA3 and EphA7 in complex with the inhibitors show that they bind to the 'DFG-out' inactive kinase conformation and provide valuable information for structure-based design of second generation inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.029

文献信息

• Type II raf kinase inhibitors
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP2937345A2

  公开（公告）日：2015-10-28

  The present invention relates to novel compounds (II), (III) and (IV) which are able to modulate b-raf kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.

  本发明涉及能够调节 b-raf 激酶的新型化合物 (II)、(III) 和 (IV)，以及这类化合物在治疗各种疾病、失调或病症中的用途。