十四烷基丙-2-炔酸酯 | 61747-68-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 十四烷基丙-2-炔酸酯
• 英文名称: tetradecyl propynoate
• 英文别名: Tetradecyl prop-2-ynoate
• CAS: 61747-68-0
• 化学式: C₁₇H₃₀O₂
• 分子量: 266.424
• InChiKey: QWRBGCGRXQAAFE-UHFFFAOYSA-N

物化性质

• 沸点：
  356.6±11.0 °C(Predicted)
• 密度：
  0.898±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  19
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  十四烷基丙-2-炔酸酯 、 三甲基硅烷化重氮甲烷 以 正己烷 为溶剂， 反应 2.0h， 以51%的产率得到tetradecyl 1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  Structural optimization and neurotrophic activity evaluation of neurotrophic gentiside derivatives

  摘要：

  C14 alkyl benzoate ABG001, derived from naturally occurring gentisides, was reported to exhibit neurotrophic activity which is similar to NGF (Nerve Growth Factor). In this research, ABG001 was modified by the strategy of isosteric replacement and conformational restriction with the purpose of improving the bioactivity. The cellular neurotrophic activity of those ABG001 derivatives were evaluated, among which 3-hydroxyquinolin-2-(1H)-one A3 and 4-decylphenol ester B7 displayed much better neurotrophic activity compared with ABG001, which highlights the potential of those novel scaffolds for future neurotrophic agent development.

  DOI：

  10.1016/j.bmcl.2019.126685
• 作为产物：
  描述：

  十四醇 、 丙炔酸 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以84%的产率得到十四烷基丙-2-炔酸酯
  参考文献：
  名称：

  Structural optimization and neurotrophic activity evaluation of neurotrophic gentiside derivatives

  摘要：

  C14 alkyl benzoate ABG001, derived from naturally occurring gentisides, was reported to exhibit neurotrophic activity which is similar to NGF (Nerve Growth Factor). In this research, ABG001 was modified by the strategy of isosteric replacement and conformational restriction with the purpose of improving the bioactivity. The cellular neurotrophic activity of those ABG001 derivatives were evaluated, among which 3-hydroxyquinolin-2-(1H)-one A3 and 4-decylphenol ester B7 displayed much better neurotrophic activity compared with ABG001, which highlights the potential of those novel scaffolds for future neurotrophic agent development.

  DOI：

  10.1016/j.bmcl.2019.126685

文献信息

• Structural optimization and neurotrophic activity evaluation of neurotrophic gentiside derivatives
  作者：Zhenkang Wang、Chunhua Ma、Yujie Wang、Qiang Xiao、Chenghui Xu、Yingxia Li

  DOI：10.1016/j.bmcl.2019.126685

  日期：2019.11

  C14 alkyl benzoate ABG001, derived from naturally occurring gentisides, was reported to exhibit neurotrophic activity which is similar to NGF (Nerve Growth Factor). In this research, ABG001 was modified by the strategy of isosteric replacement and conformational restriction with the purpose of improving the bioactivity. The cellular neurotrophic activity of those ABG001 derivatives were evaluated, among which 3-hydroxyquinolin-2-(1H)-one A3 and 4-decylphenol ester B7 displayed much better neurotrophic activity compared with ABG001, which highlights the potential of those novel scaffolds for future neurotrophic agent development.