| 501654-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 501654-72-4
• 化学式: C₇₂H₁₀₀N₁₄O₁₂
• 分子量: 1353.67
• InChiKey: TVAQRPISBQUWCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  98.0
• 可旋转键数：
  29.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  319.72
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 氧化亚氮 作用下， 以 phosphate buffer 为溶剂， 生成
  参考文献：
  名称：

  Dendrimeric-Containing Nitronyl Nitroxides as Spin Traps for Nitric Oxide:  Synthesis, Kinetic, and Stability Studies

  摘要：

  The in-vivo in-situ spin-trapping of NO. with iron chelates is limited in its ability to localize NO. at defined cellular compartments. Nitronyl nitroxides, such as 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline 3-oxide 1-oxyl, have been found to react with NO.. The resulting nitroxide, 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazolidine 1-oxyl, exhibits an EPR spectrum that is characteristically distinct from the parent nitroxide. However, nitronyl nitroxides are unstable in biologic milieu. This limits their ability to in vivo identify NO. at specific tissue compartments. Herein, we report on the preparation of a family of dendrimer-containing nitronyl nitroxides, which were developed to spin-trap NO.. Once synthesized, we determined their rate of reaction with NO. and their capacity to spin-trap NO. and estimated the stability of dendrimer-linked nitronyl nitroxides under various experimental paradigms. For the largest of the dendrimeric nitronyl nitroxides prepared, the reaction with NO. changed the EPR spectrum from one that was broad to that with a major component with narrow and defined spectral lines. These compounds promise to be excellent biological spin-trapping agents for NO..

  DOI：

  10.1021/ma021292m
• 作为产物：
  描述：

  2-(4-羧基苯基)-4,4,5,5-四甲基咪唑啉-1-氧基-3-氧化物 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Dendrimeric-Containing Nitronyl Nitroxides as Spin Traps for Nitric Oxide:  Synthesis, Kinetic, and Stability Studies

  摘要：

  The in-vivo in-situ spin-trapping of NO. with iron chelates is limited in its ability to localize NO. at defined cellular compartments. Nitronyl nitroxides, such as 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline 3-oxide 1-oxyl, have been found to react with NO.. The resulting nitroxide, 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazolidine 1-oxyl, exhibits an EPR spectrum that is characteristically distinct from the parent nitroxide. However, nitronyl nitroxides are unstable in biologic milieu. This limits their ability to in vivo identify NO. at specific tissue compartments. Herein, we report on the preparation of a family of dendrimer-containing nitronyl nitroxides, which were developed to spin-trap NO.. Once synthesized, we determined their rate of reaction with NO. and their capacity to spin-trap NO. and estimated the stability of dendrimer-linked nitronyl nitroxides under various experimental paradigms. For the largest of the dendrimeric nitronyl nitroxides prepared, the reaction with NO. changed the EPR spectrum from one that was broad to that with a major component with narrow and defined spectral lines. These compounds promise to be excellent biological spin-trapping agents for NO..

  DOI：

  10.1021/ma021292m