3-[5-(4-acetoxyphenyl)-[1,3,4]oxadiazol-2-yl]-benzyl acetate | 1226810-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-[5-(4-acetoxyphenyl)-[1,3,4]oxadiazol-2-yl]-benzyl acetate
• 英文别名: [3-[5-(4-Acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl acetate
• CAS: 1226810-24-7
• 化学式: C₁₉H₁₆N₂O₅
• 分子量: 352.346
• InChiKey: VPBLMVKVCXHBQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-[5-(4-acetoxyphenyl)-[1,3,4]oxadiazol-2-yl]-benzyl acetate 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 16.0h， 以85%的产率得到4-[5-(3-hydroxymethylphenyl)-[1,3,4]oxadiazol-2-yl]-phenol
  参考文献：
  名称：

  Stilbene analogs as inducers of apolipoprotein-I transcription

  摘要：

  Based on the naturally occurring stilbene, Resveratrol, a series of novel stilbene derivatives were synthesized, which have the ability to induce the expression of the ApoA-I gene. Several compounds equally or more potent than Resveratrol were identified. trans-4,4'-Dihydroxy-2-methoxystilbene was the most potent (4.6x more potent than Resveratrol). These compounds provide an early lead into new drugs to treat atherosclerosis. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.12.076
• 作为产物：
  描述：

  [3-[[(4-Acetyloxybenzoyl)amino]carbamoyl]phenyl]methyl acetate 在 吡啶 、 氯化亚砜 作用下， 反应 5.0h， 以63%的产率得到3-[5-(4-acetoxyphenyl)-[1,3,4]oxadiazol-2-yl]-benzyl acetate
  参考文献：
  名称：

  Stilbene analogs as inducers of apolipoprotein-I transcription

  摘要：

  Based on the naturally occurring stilbene, Resveratrol, a series of novel stilbene derivatives were synthesized, which have the ability to induce the expression of the ApoA-I gene. Several compounds equally or more potent than Resveratrol were identified. trans-4,4'-Dihydroxy-2-methoxystilbene was the most potent (4.6x more potent than Resveratrol). These compounds provide an early lead into new drugs to treat atherosclerosis. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.12.076