[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone | 1025054-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: [(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
• CAS: 1025054-57-2
• 化学式: C₂₁H₂₀N₄OS
• 分子量: 376.482
• InChiKey: KRJYCZRCXQGCOL-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙炔基噻吩 、 (1-chloro-3-methylpyrrolo[1,2-a]pyrazin-7-yl)((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 TEA 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 [(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
  参考文献：
  名称：

  Phenylethynyl-pyrrolo[1,2-a]pyrazine: A new potent and selective tool in the mGluR5 antagonists arena

  摘要：

  The synthesis and the structure activity of a new series of pyrrolo[1,2- a] pyrazine is reported. These molecules are potent and selective non-competitive mGluR5 antagonists and may shed new light on the pattern of substitution tolerated by this receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.024

文献信息

• Phenylethynyl-pyrrolo[1,2-a]pyrazine: A new potent and selective tool in the mGluR5 antagonists arena
  作者：Fabrizio Micheli、Barbara Bertani、Andrea Bozzoli、Luca Crippa、Paolo Cavanni、Romano Di Fabio、Daniele Donati、Paola Marzorati、Giancarlo Merlo、Alfredo Paio、Lorenzo Perugini、Paola Zarantonello

  DOI：10.1016/j.bmcl.2008.02.024

  日期：2008.3

  The synthesis and the structure activity of a new series of pyrrolo[1,2- a] pyrazine is reported. These molecules are potent and selective non-competitive mGluR5 antagonists and may shed new light on the pattern of substitution tolerated by this receptor. (C) 2008 Elsevier Ltd. All rights reserved.