4-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide | 1232411-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide
• 英文别名: 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
• CAS: 1232411-41-4
• 化学式: C₂₁H₁₈N₆O₂
• 分子量: 386.413
• InChiKey: FLMMASOPKNKVMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine 、 4-(N,N-二甲氨基甲酰基)苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride sodium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.5h， 以56%的产率得到4-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide
  参考文献：
  名称：

  [EN] PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE
  [FR] DÉRIVÉS PYRAZINES UTILES EN TANT QU'INHIBITEURS D'ATR KINASE

  摘要：

  本发明涉及对ATR蛋白激酶具有抑制作用的吡嗪化合物。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、紊乱和症状的方法；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、介导激酶的细胞内信号传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如下式(I)的结构，其中变量如本文所定义。

  公开号：

  WO2010071837A1

文献信息

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

  公开号：US20160311809A1

  公开（公告）日：2016-10-27

  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.

  本发明涉及一种吡嗪化合物，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、疾病和病状的方法；制备本发明化合物的方法；用于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。本发明化合物具有式I，其中变量如本文所定义。
• Pyrazin-2-amines useful as inhibitors of ATR kinase
  申请人：Charrier Jean-Damien

  公开号：US08841308B2

  公开（公告）日：2014-09-23

  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.

  本发明涉及一种用作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、疾病和病况的方法；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。本发明化合物具有公式I：其中变量如本文所定义。
• Substituted pyrazin-2-amines as inhibitors of ATR kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US09365557B2

  公开（公告）日：2016-06-14

  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. Certain compounds of this invention have formula IA: wherein the variables are as defined herein.

  本发明涉及吡嗪化合物，其可用作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、疾病和病况的方法；制备本发明化合物的过程；用于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。本发明的某些化合物具有式IA：其中变量如本文所定义。
• 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。
• PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2376485B1

  公开（公告）日：2017-12-06