ethyl 3-methyl-5-((6-methyl-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)thiophene-2-carboxylate | 1265909-20-3

• 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: ethyl 3-methyl-5-((6-methyl-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)thiophene-2-carboxylate
• CAS: 1265909-20-3
• 化学式: C₂₄H₃₂N₆O₃SSi
• 分子量: 512.708
• InChiKey: OBOKQLJNXPWCRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  95.57
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-methyl-5-((6-methyl-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)thiophene-2-carboxylate 、 3-甲基哌啶 在 异丙基氯化镁 作用下， 以 四氢呋喃 为溶剂， 生成 (3-methyl-5-((6-methyl-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)thiophen-2-yl)(3-methylpiperidin-1-yl)methanone
  参考文献：
  名称：

  Bioisosteric approach to the discovery of imidazo[1,2-a]pyrazines as potent Aurora kinase inhibitors

  摘要：

  Our continued effort toward the development of the imidazo[1,2-a] pyrazine scaffold as Aurora kinase inhibitors is described. Bioisosteric approach was applied to optimize the 8-position of the core. Several new potent Aurora A/B dual inhibitors, such as 25k and 25l, were identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.008
• 作为产物：
  描述：

  Imidazo[1,2-a]pyrazine, 6-methyl-8-(methylsulfonyl)-3-[1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazol-4-yl]- 、 5-氨基-3-甲基-2-噻吩羧酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 3-methyl-5-((6-methyl-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)thiophene-2-carboxylate
  参考文献：
  名称：

  Bioisosteric approach to the discovery of imidazo[1,2-a]pyrazines as potent Aurora kinase inhibitors

  摘要：

  Our continued effort toward the development of the imidazo[1,2-a] pyrazine scaffold as Aurora kinase inhibitors is described. Bioisosteric approach was applied to optimize the 8-position of the core. Several new potent Aurora A/B dual inhibitors, such as 25k and 25l, were identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.008