(3R)-3-deoxo-11-deoxy-3-methoxy-11-oxo-4-epi-mutilin 14-[N-(methanesulphonylamino) carbamate] | 193536-97-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3R)-3-deoxo-11-deoxy-3-methoxy-11-oxo-4-epi-mutilin 14-[N-(methanesulphonylamino) carbamate]
• CAS: 193536-97-9
• 化学式: C₂₃H₃₈N₂O₆S
• 分子量: 470.631
• InChiKey: AHTIAYGCDOFRRO-HGLMUKJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  110.8
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3R)-3-deoxo-11-deoxy-3-methoxy-11-oxo-4-epi-mutilin 14-[N-(methanesulphonylamino) carbamate] 在 盐酸 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.5h， 以85%的产率得到mutilin 14-(N-methanesulphonylamino)-carbamate
  参考文献：
  名称：

  Pleuromutilins. Part 1 The identification of novel mutilin 14-carbamates

  摘要：

  A novel series of mutilin 14-carbamates has been discovered as a result of structure-activity studies on the naturally occurring antibiotic pleuromutilin (1). In particular, the 4-methoxybenzoylcarbamate, SE-222734 (15o) displays potent antibacterial activity against a number of bacterial pathogens which are resistant to currently used agents and shows enhanced metabolic stability when compared to earlier pleuromutilin derivatives. Such derivatives therefore have the potential to provide a new class of antibacterial agents for human therapy which address the threat of bacterial resistance. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00338-2
• 作为产物：
  描述：

  (3R,3aS,4R,5R,7S,9R,9aR,12R)-5-hydroxy-3-methoxy-4,7,9,12-tetramethyl-7-vinyloctahydro-4,9a-propanocyclopenta[8]annulen-8(9H)-one 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 (3R)-3-deoxo-11-deoxy-3-methoxy-11-oxo-4-epi-mutilin 14-[N-(methanesulphonylamino) carbamate]
  参考文献：
  名称：

  Pleuromutilins. Part 1 The identification of novel mutilin 14-carbamates

  摘要：

  A novel series of mutilin 14-carbamates has been discovered as a result of structure-activity studies on the naturally occurring antibiotic pleuromutilin (1). In particular, the 4-methoxybenzoylcarbamate, SE-222734 (15o) displays potent antibacterial activity against a number of bacterial pathogens which are resistant to currently used agents and shows enhanced metabolic stability when compared to earlier pleuromutilin derivatives. Such derivatives therefore have the potential to provide a new class of antibacterial agents for human therapy which address the threat of bacterial resistance. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00338-2