O2-(2-oxysulfonylethyl sodium salt) 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate | 1268249-27-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: O2-(2-oxysulfonylethyl sodium salt) 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate
• CAS: 1268249-27-9
• 化学式: C₆H₁₂N₃O₅S*Na
• 分子量: 261.234
• InChiKey: LDRIVBQIAXHCIK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.56
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  108.1
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  O2-(2-oxysulfonylethyl sodium salt) 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  O²-(N-Hydroxy(methoxy)-2-ethanesulfonamido) Protected Diazen-1-ium-1,2-diolates: Nitric Oxide Release via a Base-Induced β-Elimination Cleavage

  摘要：

  O-2-(Ethanesulfohydroxamic acid) and O-2-(N-methoxy-2-ethanesulfonylamido) diazen-1-ium-1,2-diolates (4-7), a novel type of O-2-(protected) diazeniumdiolate, were synthesized using a key thioacetate oxidation reaction. Nitric oxide release studies showed that O-2-(N-methoxy-2-ethanesulfonylamido) diazeniumdiolates 5 and 7 released NO in a nonphysiological alkaline buffer, in the presence of bases such as the basic natural amino acids Arg and His, or the non-nucleophilic organic base DBU in PBS at pH 7.4, via a beta-elimination cleavage reaction.

  DOI：

  10.1021/ol200053z
• 作为产物：
  描述：

  O2-(2-acetylthioethyl) 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 在 双氧水 、 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 10.0h， 生成 O2-(2-oxysulfonylethyl sodium salt) 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate
  参考文献：
  名称：

  O²-(N-Hydroxy(methoxy)-2-ethanesulfonamido) Protected Diazen-1-ium-1,2-diolates: Nitric Oxide Release via a Base-Induced β-Elimination Cleavage

  摘要：

  O-2-(Ethanesulfohydroxamic acid) and O-2-(N-methoxy-2-ethanesulfonylamido) diazen-1-ium-1,2-diolates (4-7), a novel type of O-2-(protected) diazeniumdiolate, were synthesized using a key thioacetate oxidation reaction. Nitric oxide release studies showed that O-2-(N-methoxy-2-ethanesulfonylamido) diazeniumdiolates 5 and 7 released NO in a nonphysiological alkaline buffer, in the presence of bases such as the basic natural amino acids Arg and His, or the non-nucleophilic organic base DBU in PBS at pH 7.4, via a beta-elimination cleavage reaction.

  DOI：

  10.1021/ol200053z