3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]pyridin-3-yl]propanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]pyridin-3-yl]propanamide
• 化学式: C₂₂H₃₅FN₈O₅S
• 分子量: 542.6
• InChiKey: NMIZGODWNBSPLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  171
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140249157A1

  公开（公告）日：2014-09-04

  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: or a pharmaceutically acceptable salt, wherein the variables are as defined herein. Moreover, The compounds of this invention have formula I-A: or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及化合物，可用作ATR蛋白激酶的抑制剂。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病，障碍和病况的方法；制备本发明化合物的过程；制备本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激酶抑制剂的比较评估。本发明化合物具有以下公式I：或药学上可接受的盐，其中变量如本文中所定义。此外，本发明化合物具有以下公式I-A：或药学上可接受的盐，其中变量如本文中所定义。