4-morpholinocarbonyloxy-3β-cholest-5-ene | 80758-96-9

• 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
• 英文名称: 4-morpholinocarbonyloxy-3β-cholest-5-ene
• CAS: 80758-96-9
• 化学式: C₃₂H₅₃NO₃
• 分子量: 499.778
• InChiKey: CKEFMRBSPZTUEP-PTHRTHQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.87
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-morpholinocarbonyloxy-3β-cholest-5-ene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  Structure–activity relationships of oxysterol-derived pharmacological chaperones for Niemann–Pick type C1 protein

  摘要：

  Niemann-Pick disease type C is a fatal neurodegenerative disease, and its major cause is mutations in NPC1 gene. This gene encodes NPC1 protein, a late endosomal polytopic membrane protein required for intracellular cholesterol trafficking. One prevalent mutation (11061T) has been shown to cause a folding defect, which results in failure of endosomal localization of the protein, leading to loss-of-function phenotype. We have previously demonstrated that several oxysterols and their derivatives act as pharmacological chaperones; binding of these compounds to NPC1(11061T) mutant protein corrects the localization/maturation defect of the mutant protein. Here, we disclose detailed structure-activity relationships of oxysterol derivatives as pharmacological chaperones for NPC1(11061T) mutant. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.064
• 作为产物：
  描述：

  N-甲基吗啉 、 胆固醇甲酰氯 以 苯 为溶剂， 反应 5.0h， 以0.4 g的产率得到4-morpholinocarbonyloxy-3β-cholest-5-ene
  参考文献：
  名称：

  Agocs, P. M., Acta Chimica Academiae Scientiarum Hungaricae, 1981, vol. 107, p. 263 - 268

  摘要：

  DOI：