3-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl 6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate | 866614-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl 6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
• CAS: 866614-27-9
• 化学式: C₂₇H₃₀N₂O₁₀S
• 分子量: 574.609
• InChiKey: WXRMLCDKRVPEAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  165
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  奎诺二甲基丙烯酸酯 在 吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.5h， 生成 3-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl 6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
  参考文献：
  名称：

  Design, synthesis, and biological characterization of potential antiatherogenic nitric oxide releasing tocopherol analogs

  摘要：

  Synthesis and biological characterization of a series of alpha-tocopherol analogs with NO-releasing capacity are reported. The selected NO-donor moieties were nitrooxy and furoxan. All products were tested for their in vitro NO-releasing capacities, vasodilating properties, and antiplatelet activity. They were also capable of preventing LDL oxidation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.060

文献信息

• Design, synthesis, and biological characterization of potential antiatherogenic nitric oxide releasing tocopherol analogs
  作者：Gloria V. López、Carlos Batthyány、Fabiana Blanco、Horacio Botti、Andrés Trostchansky、Eduardo Migliaro、Rafael Radi、Mercedes González、Hugo Cerecetto、Homero Rubbo

  DOI：10.1016/j.bmc.2005.05.060

  日期：2005.10

  Synthesis and biological characterization of a series of alpha-tocopherol analogs with NO-releasing capacity are reported. The selected NO-donor moieties were nitrooxy and furoxan. All products were tested for their in vitro NO-releasing capacities, vasodilating properties, and antiplatelet activity. They were also capable of preventing LDL oxidation. (c) 2005 Elsevier Ltd. All rights reserved.