tert-butyl 3-(4-(5-(3-amino-6-(4-((1-(tert-butoxycarbonyl)piperidin-3-yl)sulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)morpholine-4-carboxylate | 1432755-75-3

• 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: tert-butyl 3-(4-(5-(3-amino-6-(4-((1-(tert-butoxycarbonyl)piperidin-3-yl)sulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)morpholine-4-carboxylate
• 英文别名: Tert-butyl 3-(4-(5-(3-amino-6-(4-((1-(tert-butoxycarbonyl)piperidin-3-yl)sulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)morpholine-4-carboxylate；tert-butyl 3-[4-[5-[3-amino-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]sulfonylphenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine-4-carboxylate
• CAS: 1432755-75-3
• 化学式: C₃₇H₄₅N₇O₈S
• 分子量: 747.872
• InChiKey: LDXVDRUFOMNAPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  202
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  N-BOC-3-甲磺酰氧基哌啶 在 potassium phosphate 、 双(三环己基膦)二氯化钯 、 二(三叔丁基膦)钯 、 氰基磷酸二乙酯 、 potassium acetate 、 potassium carbonate 、 一水合肼 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 69.0h， 生成 tert-butyl 3-(4-(5-(3-amino-6-(4-((1-(tert-butoxycarbonyl)piperidin-3-yl)sulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)morpholine-4-carboxylate
  参考文献：
  名称：

  Compounds Useful as Inhibitors of ATR Kinase

  摘要：

  本发明涉及作为ATR蛋白激酶抑制剂有用的化合物。该发明还涉及包括本发明的化合物的药用可接受组合物；使用本发明的化合物治疗各种疾病、疾病和症状的方法；制备本发明的化合物的方法；用于制备本发明的化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶；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。本发明的化合物具有式I，其中变量如本文所定义。

  公开号：

  US20130115310A1

文献信息

• Compounds useful as inhibitors of ATR kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US08841449B2

  公开（公告）日：2014-09-23

  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.

  本发明涉及用作ATR蛋白激酶抑制剂的化合物。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、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、通过这些激酶介导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。本发明化合物的化学式为I，其中变量的定义如本文所述。
• PYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2776419A1

  公开（公告）日：2014-09-17
• US8841449B2
  申请人：——

  公开号：US8841449B2

  公开（公告）日：2014-09-23
• [EN] PYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS DE PYRAZINE UTILES COMME INHIBITEURS DE KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2013071085A1

  公开（公告）日：2013-05-16

  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.
• Compounds Useful as Inhibitors of ATR Kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130115310A1

  公开（公告）日：2013-05-09

  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.

  本发明涉及作为ATR蛋白激酶抑制剂有用的化合物。该发明还涉及包括本发明的化合物的药用可接受组合物；使用本发明的化合物治疗各种疾病、疾病和症状的方法；制备本发明的化合物的方法；用于制备本发明的化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶；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。本发明的化合物具有式I，其中变量如本文所定义。