2-(4-isopropylsulfonylphenyl)-N-[(4-morpholinophenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide | 1416773-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(4-isopropylsulfonylphenyl)-N-[(4-morpholinophenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• 英文别名: N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• CAS: 1416773-71-1
• 化学式: C₂₇H₂₉N₅O₄S
• 分子量: 519.624
• InChiKey: VPGXUIDECSRXIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Everitt Simon

  公开号：US20130017273A1

  公开（公告）日：2013-01-17

  The present invention relates to pyrrolopyrazines 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.

  本发明涉及一种用作ATR蛋白激酶抑制剂的吡咯吡嗪化合物。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、紊乱和病况的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及使用该化合物进行体外应用的方法，例如研究生物和病理现象中的激酶、由此类激酶介导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。本发明化合物具有公式I：其中变量如此处所定义。
• US9096602B2
  申请人：——

  公开号：US9096602B2

  公开（公告）日：2015-08-04