| 1357918-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1357918-87-6；1388225-57-7
• 化学式: C₂₇H₃₃N₅O₂
• 分子量: 459.591
• InChiKey: VMVVFZRSSKDHBL-GRGXKFILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  96.48
• 氢给体数：
  2.0
• 氢受体数：
  4.0

文献信息

• [EN] BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE<br/>[FR] COMPOSÉS BENZIMIDAZOLE ET AZABENZIMIDAZOLE QUI INHIBENT LA KINASE DES LYMPHOMES ANAPLASIQUES
  申请人：AMGEN INC

  公开号：WO2012018668A1

  公开（公告）日：2012-02-09

  Compounds of Formula (I) are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula (I) have the following structure: where the definitions of the variables are provided herein.

  公式（I）的化合物是有用的间变性淋巴瘤激酶抑制剂。公式（I）的化合物具有以下结构：其中变量的定义如下。
• The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer
  作者：Richard T. Lewis、Christiane M. Bode、Deborah M. Choquette、Michele Potashman、Karina Romero、John C. Stellwagen、Yohannes Teffera、Earl Moore、Douglas A. Whittington、Hao Chen、Linda F. Epstein、Renee Emkey、Paul S. Andrews、Violeta L. Yu、Douglas C. Saffran、Man Xu、Allison Drew、Patricia Merkel、Steven Szilvassy、Rachael L. Brake

  DOI：10.1021/jm3005866

  日期：2012.7.26

  potent and selective inhibitors of anaplastic lymphoma kinase (ALK). Structure based design facilitated the rapid development of structure–activity relationships (SAR) and the optimization of kinase selectivity. Introduction of an optimally placed polar substituent was key to solving issues of metabolic stability and led to the development of potent, selective, orally bioavailable ALK inhibitors. Compound

  一类2-酰基亚氨基苯并咪唑已被开发为间变性淋巴瘤激酶（ALK）的有效和选择性抑制剂。基于结构的设计促进了结构-活性关系（SAR）的快速发展和激酶选择性的优化。引入最佳放置的极性取代基是解决代谢稳定性问题的关键，并导致开发出有效的，选择性的，可口服生物利用的ALK抑制剂。剂量为qd时，化合物49在NPM-ALK驱动的鼠类肿瘤异种移植模型中实现了实质性的肿瘤消退。化合物36和49在临床前物种中显示出有利的效力和PK特性，表明其适合进一步开发。
• BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE
  申请人：Boezio Christiane M.

  公开号：US20130217668A1

  公开（公告）日：2013-08-22

  Compounds of Formula (I) are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula (I) have the following structure: where the definitions of the variables are provided herein.

  公式（I）的化合物是阿纳普拉斯腺瘤激酶的有用抑制剂。公式（I）的化合物具有以下结构：其中变量的定义在此提供。
• Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase
  申请人：Boezio Christiane M.

  公开号：US09115127B2

  公开（公告）日：2015-08-25

  Compounds of Formula (I) are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula (I) have the following structure: where the definitions of the variables are provided herein.

  公式（I）的化合物是阿帕拉斯腺瘤激酶的有用抑制剂。公式（I）的化合物具有以下结构：其中变量的定义在此提供。
• MODULATING CERTAIN TYROSINE KINASES
  申请人：Tesaro, Inc.

  公开号：US20150306086A1

  公开（公告）日：2015-10-29

  The present invention provides therapeutic and diagnostic modalities relevant to treating disorders associated with tyrosine kinase activity.