(S)-2-[(1-Hydroxymethyl-2,2-dimethyl-propylaminooxalyl)-amino]-butyric acid ethyl ester | 848612-30-6

• 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: (S)-2-[(1-Hydroxymethyl-2,2-dimethyl-propylaminooxalyl)-amino]-butyric acid ethyl ester
• CAS: 848612-30-6
• 化学式: C₁₄H₂₆N₂O₅
• 分子量: 302.371
• InChiKey: PSYXBSLNBUFMJB-RGURZIINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.03
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  104.73
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-2-[(1-Hydroxymethyl-2,2-dimethyl-propylaminooxalyl)-amino]-butyric acid ethyl ester 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 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 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (S)-2-[(1-Hydroxymethyl-2,2-dimethyl-propylaminooxalyl)-amino]-butyric acid ethyl ester
  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