[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone | 1232422-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
• CAS: 1232422-22-8
• 化学式: C₂₃H₂₃N₇O
• 分子量: 413.482
• InChiKey: AJCARSDKLMKQOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.62
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  112.82
• 氢给体数：
  3.0
• 氢受体数：
  6.0

文献信息

• Substituted pyrazines as ATR kinase inhibitors
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US10961232B2

  公开（公告）日：2021-03-30

  The present invention relates to pyrazine 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.

  本发明涉及可用作 ATR 蛋白激酶抑制剂的吡嗪化合物。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、失调和病症的方法；制备本发明化合物的工艺；制备本发明化合物的中间体；以及在体外应用中使用本发明化合物的方法，例如研究生物和病理现象中的激酶；研究由这些激酶介导的细胞内信号转导途径；以及比较评估新的激酶抑制剂。 本发明的化合物具有式 I： 其中的变量如本文所定义。