2,2,2-trifluoro-N-[2-furan-3-yl-3-(1,1,3,3-tetramethyl-butylamino)imidazo[1,2-a]pyrazin-6-yl]-acetamide | 767342-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: 2,2,2-trifluoro-N-[2-furan-3-yl-3-(1,1,3,3-tetramethyl-butylamino)imidazo[1,2-a]pyrazin-6-yl]-acetamide
• 英文别名: 2,2,2-trifluoro-N-[2-(furan-3-yl)-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]acetamide
• CAS: 767342-91-6
• 化学式: C₂₀H₂₄F₃N₅O₂
• 分子量: 423.438
• InChiKey: DHIDTNUYUFJLFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2-(3-furyl)-6-bromoimidazo[1,2-a]pyrazin-3-yl)-(1,1,3,3-tetramethylbutyl)amine 、 2,2,2-三氟乙酰胺 在 copper(l) iodide 、 铜 、 potassium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以71%的产率得到2,2,2-trifluoro-N-[2-furan-3-yl-3-(1,1,3,3-tetramethyl-butylamino)imidazo[1,2-a]pyrazin-6-yl]-acetamide
  参考文献：
  名称：

  [EN] COMPOUNDS AND LIBRARIES OF PYRIDINES, PYRAZINES, IMIDAZO[1,2-A]PYRAZINES AND 1H-IMIDAZO[4,5-B]PYRAZIN-2-ONES AND FIRST AND SECOND MEDICAL USES THEREOF
  [FR] BIBLIOTHEQUE DE COMPOSES

  摘要：

  公开号：

  WO2004085409A3

文献信息

• [EN] COMPOUND LIBRARIES<br/>[FR] BIBLIOTHEQUE DE COMPOSES
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2004085409A2

  公开（公告）日：2004-10-07

  The present invention relates to pyridine,pyrazine,imidoz[1,2a]pyrazine and 1H-imidoz[4,5-b]pyrazin-2-one compounds capable of binding to the active site of protein kinase enzymes. The invention further relates to libraries of these compounds and a family of libraries of these compounds for use in screening programmes against protein kinases as well as the individual compounds for use in hit to lead and lead optimisation projects, and similar stages in the drug discovery process. The invention also provides methods for making compounds and libraries, thereof.
• [EN] COMPOUNDS AND LIBRARIES OF PYRIDINES, PYRAZINES, IMIDAZO[1,2-A]PYRAZINES AND 1H-IMIDAZO[4,5-B]PYRAZIN-2-ONES AND FIRST AND SECOND MEDICAL USES THEREOF<br/>[FR] BIBLIOTHEQUE DE COMPOSES
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2004085409A3

  公开（公告）日：2004-12-23