tert-butyl N-tert-butoxycarbonyl-N-[5-bromo-3-((trimethylsilyl)ethyynyl)pyrazin-2-yl]carbamate | 1225062-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: tert-butyl N-tert-butoxycarbonyl-N-[5-bromo-3-((trimethylsilyl)ethyynyl)pyrazin-2-yl]carbamate
• 英文别名: tert-butyl N-tert-butoxycarbonyl-N-[5-bromo-3-((trimethylsilyl)ethynyl)pyrazin-2-yl]carbamate；N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]-N-tertbutoxycarbonylcarbamate；tert-butyl N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]-N-tert-butoxycarbonylcarbamate；tert-butyl N-[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• CAS: 1225062-32-7
• 化学式: C₁₉H₂₈BrN₃O₄Si
• 分子量: 470.439
• InChiKey: URHMTYMFTUQYMV-UHFFFAOYSA-N

物化性质

• 沸点：
  472.7±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  81.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-tert-butoxycarbonyl-N-[5-bromo-3-((trimethylsilyl)ethyynyl)pyrazin-2-yl]carbamate 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 5-溴-3-乙炔基吡嗪-2-基氨基甲酸二叔丁酯
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  [FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE KINASE ATR

  摘要：

  该发明涉及化合物5-(4-异丙磺酰基苯基)-3-[3-[4-[(3R)-吗啉-3-基]苯基]异恶唑-5-基]吡嗪-2-胺及其药用可接受的盐。这些化合物可用作ATR激酶的抑制剂。

  公开号：

  WO2013049719A1
• 作为产物：
  描述：

  5-溴-3-((三甲基硅基)乙炔)吡嗪-2-胺 以99的产率得到tert-butyl N-tert-butoxycarbonyl-N-[5-bromo-3-((trimethylsilyl)ethyynyl)pyrazin-2-yl]carbamate
  参考文献：
  名称：

  COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE

  摘要：

  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。

  公开号：

  US20160311809A1

文献信息

• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2013049720A1

  公开（公告）日：2013-04-04

  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) or a pharmaceutically acceptable salt thereof.

  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用可接受组合物；使用本发明化合物治疗各种疾病、障碍和状况的方法；制备本发明化合物的方法；本发明化合物的中间体；以及使用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；研究由这些激酶介导的细胞内信号转导途径；以及新激酶抑制剂的比较评估。本发明的化合物具有公式（I）或其药用可接受的盐。
• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES COMME INHIBITEURS DE LA KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2011143426A1

  公开（公告）日：2011-11-17

  The present invention relates to pyrazine and pyridine 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 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.

  本发明涉及可用于作为ATR蛋白激酶抑制剂的吡嗪和吡啶化合物。本发明还涉及包含本发明化合物的药用可接受组合物；使用本发明化合物治疗各种疾病、障碍和状况的方法；制备本发明化合物的方法；制备本发明化合物的中间体；以及使用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；研究由这类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，其中变量如所定义。
• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES COMME INHIBITEURS DE L'ATR KINASE
  申请人：VERTEX PHARMA

  公开号：WO2010054398A1

  公开（公告）日：2010-05-14

  The present disclosure relates to pyrazine compounds of formula (I) wherein L, n, R1, and R2 are as described in the specification. These compounds are useful as inhibitors of ATR protein kinase. The disclosure also relates to pharmaceutically acceptable compositions comprising the compounds of the disclosure; methods of treating of various diseases, disorders, and conditions using the compounds of the disclosure; processes for preparing the compounds of the disclosure; intermediates for the preparation of the compounds of the disclosure; 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.

  本公开涉及式(I)的吡嗪化合物，其中L、n、R1和R2如规范中所述。这些化合物可用作ATR蛋白激酶的抑制剂。本公开还涉及包含本公开的化合物的药用组合物；使用本公开的化合物治疗各种疾病、疾病和病况的方法；制备本公开的化合物的方法；制备本公开的化合物的中间体；以及在体外应用中使用这些化合物的方法，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，以及新的激酶抑制剂的比较评估。
• 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。
• Compounds useful as inhibitors of ATR kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US08765751B2

  公开（公告）日：2014-07-01

  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.

  本发明涉及一种作为ATR蛋白激酶抑制剂有用的化合物。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、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、通过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。本发明化合物具有式I：其中变量如定义所述。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过程。