(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid | 374805-24-0

• 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: (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid
• CAS: 374805-24-0
• 化学式: C₉H₁₅NO₅
• 分子量: 217.222
• InChiKey: NDFUSEJDRWWWMO-YFKPBYRVSA-N

物化性质

• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl (S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate hydrochloride 、 (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到benzyl (S)-3-((S)-2-(2-(tert-butoxy)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease

  摘要：

  The P4 region of a series of oxamyl dipeptide caspase inhibitors was optimized by the combination of anti-apoptotic activity in the Jurkat/Fas (JFas) cellular assay and membrane permeability in the PAMPA assay. Two highly potent anti-apoptotic agents with moderate membrane permeability, 29 and 36, showed strong in vivo efficacy in a murine model of alpha-Fas-induced liver injury. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.117
• 作为产物：
  描述：

  benzyl (2-(tert-butoxy)-2-oxoacetyl)-L-alaninate 在 10% Pd on charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以92%的产率得到(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease

  摘要：

  The P4 region of a series of oxamyl dipeptide caspase inhibitors was optimized by the combination of anti-apoptotic activity in the Jurkat/Fas (JFas) cellular assay and membrane permeability in the PAMPA assay. Two highly potent anti-apoptotic agents with moderate membrane permeability, 29 and 36, showed strong in vivo efficacy in a murine model of alpha-Fas-induced liver injury. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.117

文献信息

• Self-assembled organogels formed by mono-chain l-alanine derivatives
  作者：Xuzhong Luo、Bin Liu、Yingqiu Liang

  DOI：10.1039/b104428c

  日期：——

  The mono-chain L-alanine derivatives self-assemble into bilayer aggregates in a number of organic liquids and gelatinize the liquids.

  单链 L-丙氨酸衍生物可在多种有机液体中自组装成双层聚合体，并使液体凝胶化。