2-[4-[5-Amino-6-[5-[4-[2-(aminomethyl)pyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-yl]-2-methylpropanenitrile | 1402389-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: 2-[4-[5-Amino-6-[5-[4-[2-(aminomethyl)pyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-yl]-2-methylpropanenitrile
• CAS: 1402389-63-2
• 化学式: C₂₆H₂₇N₉O
• 分子量: 481.56
• InChiKey: GDMFRDXFXTWUFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Charrier Jean-Damien

  公开号：US20130095193A1

  公开（公告）日：2013-04-18

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I: wherein the variables are as defined herein.

  本发明涉及一种有用的ATR蛋白激酶抑制剂化合物。本发明还涉及包含该发明化合物的药学上可接受的组合物；使用该发明化合物治疗各种疾病、疾患和病况的方法；制备该发明化合物的过程；用于制备该发明化合物的中间体；以及在体外应用中使用化合物的方法，例如研究生物和病理现象中的激酶、介导这些激酶的细胞内信号转导途径的研究，以及新的激酶抑制剂的比较评估。该发明化合物的化学式为I，其中变量如本文所定义。