孕甾烷醇酮硫酸盐吡啶鎓盐 | 124107-39-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 孕甾烷醇酮硫酸盐吡啶鎓盐
• 中文别名: 孕烷酮硫酸盐吡啶鎓盐
• 英文名称: pregnanolone sulfate pyridinium salt
• 英文别名: 20-oxo-5β-pregnan-3α-yl sulfate pyridinium salt；Pregnanolone sulfate (pyridinium)；[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;pyridine
• CAS: 124107-39-7
• 化学式: C₅H₅N*C₂₁H₃₄O₅S
• 分子量: 477.665
• InChiKey: MRONXFCVCNETJP-GEVXNLERSA-N

物化性质

• 溶解度：
  氯仿（微溶）、乙醇（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  孕烷醇酮 、 三氧化硫吡啶 以 氯仿 为溶剂， 反应 4.0h， 以80%的产率得到孕甾烷醇酮硫酸盐吡啶鎓盐
  参考文献：
  名称：

  Synthesis of C3, C5, and C7 pregnane derivatives and their effect on NMDA receptor responses in cultured rat hippocampal neurons

  摘要：

  The synthesis of several novel 5 alpha- and 5 beta-20-oxo-pegnane derivatives substituted in the position 3 and 7 of the steroid skeleton is described. Activity of synthesized compounds was studied in voltage-clamped cultured rat hippocampal neurons. Substituted derivatives inhibited NMDA-elicited neuronal activity. The relationship between biological activity and structure is discussed. (C) 2008 Published by Elsevier Inc.

  DOI：

  10.1016/j.steroids.2008.11.011