3,20-dioxo-17-(4-methylpiperazin-1-yl)carbonyl-29-norlupane | 1237588-76-9

• 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: 3,20-dioxo-17-(4-methylpiperazin-1-yl)carbonyl-29-norlupane
• CAS: 1237588-76-9
• 化学式: C₃₄H₅₄N₂O₃
• 分子量: 538.814
• InChiKey: MSEBMVUTZHESDF-BUVPLSRSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.0
• 重原子数：
  39.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  57.69
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (4-methylpiperazin-1-yl)amide of betulonic acid 在 臭氧 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到3,20-dioxo-17-(4-methylpiperazin-1-yl)carbonyl-29-norlupane
  参考文献：
  名称：

  Synthesis, modification, and antimicrobial activity of the N-methylpiperazinyl amides of triterpenic acids

  摘要：

  N-methylpyperazinyl amides of betulinic, platanic, glycyrrhetic, oleanolic, ursolic, and moronic acids were synthesized and modified. Betulin and betulonic acid showed antimicrobial activity against Staphylococcus aureus at a concentration of 90 mg/ml, and betulin manifested a bacteriostatic effect against Klebsiella pneumoniae at a concentration of 60 mg/ml. Among the studied N-methylpyperazinyl amides, the highest activity against S. aureus was observed for a betulonic acid derivative.

  DOI：

  10.1134/s1068162010030155