3-(o-tolyl)morpholin-4-ium 2,2,2-trifluoroacetate | 1429228-92-1

• 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: 3-(o-tolyl)morpholin-4-ium 2,2,2-trifluoroacetate
• 英文别名: 3-(2-Methylphenyl)morpholine;2,2,2-trifluoroacetic acid；3-(2-methylphenyl)morpholine;2,2,2-trifluoroacetic acid
• CAS: 1429228-92-1
• 化学式: C₂HF₃O₂*C₁₁H₁₅NO
• 分子量: 291.27
• InChiKey: QHCOFWNIEFQNPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Compounds Useful as Inhibitors of ATR Kinase
  申请人：Charrier Jean-Damien

  公开号：US20130089624A1

  公开（公告）日：2013-04-11

  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. Additionally, the present invention also relates to novel processes for the production of various morpoholine based intermediates.

  本发明涉及用作ATR蛋白激酶抑制剂的化合物。本发明还涉及包括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、由这些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。本发明化合物的式子为I：其中变量如本文所定义。此外，本发明还涉及用于生产各种基于吗啡啶的中间体的新型工艺。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2751088B1

  公开（公告）日：2016-04-13
• US8765751B2
  申请人：——

  公开号：US8765751B2

  公开（公告）日：2014-07-01