Sodium;2-hydroxy-1-nitrooxy-3-sulfonatosulfanylpropane

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代硫酸及其衍生物
• 英文名称: Sodium;2-hydroxy-1-nitrooxy-3-sulfonatosulfanylpropane
• 化学式: C₃H₆NO₇S₂*Na
• 分子量: 255.205
• InChiKey: KMNQPPXUOWESKX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.25
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  166
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  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

• 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.