| 1477468-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1477468-30-6
• 化学式: C₅₇H₁₀₅N₅O₁₇S₂
• 分子量: 1196.62
• InChiKey: NUDVQSAOEYSGLR-NACGUEJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.96
• 重原子数：
  81.0
• 可旋转键数：
  25.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  289.26
• 氢给体数：
  8.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  、 三氟乙酸 反应 0.03h， 以100%的产率得到
  参考文献：
  名称：

  Site-Selective Displacement of Tobramycin Hydroxyls for Preparation of Antimicrobial Cationic Amphiphiles

  摘要：

  A short site-selective strategy for the activation and derivatization of alcohols of the clinically important aminoglycoside tobramycin is reported. The choice of amine protecting group affected the site-selective conversion of secondary alcohols of tobramycin into leaving groups. Temperature-dependent, chemoselective sequential nucleophilic displacements resulted in hetero- and homodithioether tobramycin-based cationic amphiphiles that demonstrated marked antimicrobial activity and impressive membrane selectivity.

  DOI：

  10.1021/ol4030138
• 作为产物：
  描述：

  1-庚硫醇 、 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以70%的产率得到
  参考文献：
  名称：

  Site-Selective Displacement of Tobramycin Hydroxyls for Preparation of Antimicrobial Cationic Amphiphiles

  摘要：

  A short site-selective strategy for the activation and derivatization of alcohols of the clinically important aminoglycoside tobramycin is reported. The choice of amine protecting group affected the site-selective conversion of secondary alcohols of tobramycin into leaving groups. Temperature-dependent, chemoselective sequential nucleophilic displacements resulted in hetero- and homodithioether tobramycin-based cationic amphiphiles that demonstrated marked antimicrobial activity and impressive membrane selectivity.

  DOI：

  10.1021/ol4030138