ethyl (2S)-2-(3-bromo-2-oxopyrazin-1-yl)butanoate | 321392-82-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (2S)-2-(3-bromo-2-oxopyrazin-1-yl)butanoate
• CAS: 321392-82-9
• 化学式: C₁₀H₁₃BrN₂O₃
• 分子量: 289.129
• InChiKey: GIHUNYFXHCRTJZ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (2S)-2-(3-bromo-2-oxopyrazin-1-yl)butanoate 在 N-甲基吗啉 、 lithium hydroxide 、 TEA 、 氢溴酸 、 溶剂黄146 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors

  摘要：

  The iterative process for the discovery of a series of pyrazinone mono-amides as potent, selective and reversible non-peptide caspase-3 inhibitors (e.g., M826 and M867) is reported. These compounds display potent anti apoptotic activities in a number of cell based systems in vitro as well as in several animal models in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.006
• 作为产物：
  描述：

  L-2-氨基丁酸乙酯盐酸盐 在 戴斯-马丁氧化剂 、 溶剂黄146 、 三乙胺 、 三氟乙酸 、 三氟乙酸酐 、 三溴氧磷 作用下， 以 二氯甲烷 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 生成 ethyl (2S)-2-(3-bromo-2-oxopyrazin-1-yl)butanoate
  参考文献：
  名称：

  Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors

  摘要：

  The iterative process for the discovery of a series of pyrazinone mono-amides as potent, selective and reversible non-peptide caspase-3 inhibitors (e.g., M826 and M867) is reported. These compounds display potent anti apoptotic activities in a number of cell based systems in vitro as well as in several animal models in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.006

文献信息

• Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors
  作者：Yongxin Han、André Giroux、John Colucci、Christopher I. Bayly、Daniel J. Mckay、Sophie Roy、Steve Xanthoudakis、John Vaillancourt、Dita M. Rasper、John Tam、Paul Tawa、Donald W. Nicholson、Robert J. Zamboni

  DOI：10.1016/j.bmcl.2004.12.006

  日期：2005.2

  The iterative process for the discovery of a series of pyrazinone mono-amides as potent, selective and reversible non-peptide caspase-3 inhibitors (e.g., M826 and M867) is reported. These compounds display potent anti apoptotic activities in a number of cell based systems in vitro as well as in several animal models in vivo. (C) 2004 Elsevier Ltd. All rights reserved.