5-bromo-3-(ethylthio)pyrazin-2-amine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-bromo-3-(ethylthio)pyrazin-2-amine
• 英文别名: 5-Bromo-3-ethylsulfanylpyrazin-2-amine；5-bromo-3-ethylsulfanylpyrazin-2-amine
• 化学式: C₆H₈BrN₃S
• 分子量: 234.12
• InChiKey: FNCRWEYVWDMOKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-bromo-3-(ethylthio)pyrazin-2-amine 在 溶剂黄146 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.33h， 生成 5-bromo-3-(ethylsulfinyl)-2-(1H-pyrrol-1-yl)pyrazine
  参考文献：
  名称：

  Synthesis of novel, functionalised tricycles utilising the interrupted Pummerer reaction

  摘要：

  Herein we describe the synthesis of a series of novel, functionalised pyrrolothiazolo-pyrimidines, -pyridines and -pyrazines employing a short reaction sequence, utilising the under-reported interrupted Pummerer reaction to effect cyclisation in the final step. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.083
• 作为产物：
  描述：

  5-溴-3-氯吡嗪-2-胺 、 乙硫醇钠 以 甲醇 为溶剂， 反应 3.0h， 以64%的产率得到5-bromo-3-(ethylthio)pyrazin-2-amine
  参考文献：
  名称：

  Synthesis of novel, functionalised tricycles utilising the interrupted Pummerer reaction

  摘要：

  Herein we describe the synthesis of a series of novel, functionalised pyrrolothiazolo-pyrimidines, -pyridines and -pyrazines employing a short reaction sequence, utilising the under-reported interrupted Pummerer reaction to effect cyclisation in the final step. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.083

文献信息

• [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：WO2012178123A1

  公开（公告）日：2012-12-27

  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.

  本发明涉及作为ATR蛋白激酶抑制剂的吡咯并吡嗪化合物。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；以及使用本发明化合物在体外应用中的方法，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，其中变量如本文所述定义。
• Synthesis of novel, functionalised tricycles utilising the interrupted Pummerer reaction
  作者：Scott Boyd、Robert D.M. Davies、Sébastien L. Degorce、Sam Groombridge、James S. Scott、Stephen Stokes

  DOI：10.1016/j.tetlet.2015.11.083

  日期：2016.1

  Herein we describe the synthesis of a series of novel, functionalised pyrrolothiazolo-pyrimidines, -pyridines and -pyrazines employing a short reaction sequence, utilising the under-reported interrupted Pummerer reaction to effect cyclisation in the final step. (C) 2015 Elsevier Ltd. All rights reserved.