2'-O-acetyl-roxithromycin | 869312-19-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-O-acetyl-roxithromycin
• 英文别名: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate
• CAS: 869312-19-6
• 化学式: C₄₃H₇₈N₂O₁₆
• 分子量: 879.096
• InChiKey: CUTNESWXSKWMEI-QYFGPPEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  61
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  223
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  6-[3-({2-[(2-carboxyethyl)oxy]ethyl}oxy)propyl]-1-ethyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 、 2'-O-acetyl-roxithromycin 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis and biological activity of 4″-O-acyl derivatives of 14- and 15-membered macrolides linked to ω-quinolone-carboxylic unit

  摘要：

  The synthesis and antimicrobial activity of a new class of macrolide antibiotics which consist of a macrolide scaffold and a quinolone unit covalently connected by an appropriate linker are described. Optimization of several synthetic steps and structural properties of lead compound 26 are discussed. Promising antibacterial properties of this compound and some of its analogues are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.050
• 作为产物：
  描述：

  乙酸酐 、 roxithromycin 在 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2'-O-acetyl-roxithromycin
  参考文献：
  名称：

  Synthesis and biological activity of 4″-O-acyl derivatives of 14- and 15-membered macrolides linked to ω-quinolone-carboxylic unit

  摘要：

  The synthesis and antimicrobial activity of a new class of macrolide antibiotics which consist of a macrolide scaffold and a quinolone unit covalently connected by an appropriate linker are described. Optimization of several synthetic steps and structural properties of lead compound 26 are discussed. Promising antibacterial properties of this compound and some of its analogues are reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.050