1-(2-Hydroxy-3-nitrooxy-propyldisulfanyl)-3-nitrooxy-propan-2-ol

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 1-(2-Hydroxy-3-nitrooxy-propyldisulfanyl)-3-nitrooxy-propan-2-ol
• 英文别名: [2-Hydroxy-3-[(2-hydroxy-3-nitrooxypropyl)disulfanyl]propyl] nitrate
• 化学式: C₆H₁₂N₂O₈S₂
• 分子量: 304.302
• InChiKey: PYQKMEWSAZZRIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  201
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  sodium 2,3-dinitrooxypropane-1-thiosulfonate 、 Sodium;2-hydroxy-1-nitrooxy-3-sulfonatosulfanylpropane 在 硫酸 、 双氧水 作用下， 反应 0.33h， 以36%的产率得到1-(2-Hydroxy-3-nitrooxy-propyldisulfanyl)-3-nitrooxy-propan-2-ol
  参考文献：
  名称：

  Nitrate Esters as Nitric Oxide Donors:  SS-Nitrates

  摘要：

  The important biological secondary messenger NO can be generated from exogenous nitrovasodilators and NO donors, Nitrate esters are nitrovasodilators and NO mimetics, believed to be biotransformed to NO in vivo. On the basis of a mechanistic hypothesis, nitrates have been synthesized that release NO at significant rates in neutral aqueous solution in the presence only of added thiol. The novel masked beta -mercaptonitrates reported (SS nitrates), provide information on possible sulfhydryl dependent biotransformation mechanisms for nitrates in clinical use.

  DOI：

  10.1021/ol007022a

文献信息

• Methods and compositions for mitigating pain
  申请人：Thatcher R.J. Gregory

  公开号：US20070066575A1

  公开（公告）日：2007-03-22

  Methods and therapeutic compounds for treating pain, mitigating inflammation, effecting analgesia and/or effecting sedation in a subject are described. A subject is administered an effective amount of a therapeutic compound which is a nitrate ester. Novel pharmaceutical compositions are also described.
• Nitrate Esters as Nitric Oxide Donors:  SS-Nitrates
  作者：Sergei I. Zavorin、Jennifer D. Artz、Adina Dumitrascu、Adrian Nicolescu、Dan Scutaru、Stefanie V. Smith、Gregory R. J. Thatcher

  DOI：10.1021/ol007022a

  日期：2001.4.1

  The important biological secondary messenger NO can be generated from exogenous nitrovasodilators and NO donors, Nitrate esters are nitrovasodilators and NO mimetics, believed to be biotransformed to NO in vivo. On the basis of a mechanistic hypothesis, nitrates have been synthesized that release NO at significant rates in neutral aqueous solution in the presence only of added thiol. The novel masked beta -mercaptonitrates reported (SS nitrates), provide information on possible sulfhydryl dependent biotransformation mechanisms for nitrates in clinical use.