3-O-((3,4-methylenedioxyphenethyl)carbamoyl)-3-O-decladinosylclarithromycin | 1223615-58-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-O-((3,4-methylenedioxyphenethyl)carbamoyl)-3-O-decladinosylclarithromycin
• 英文别名: [(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] N-[2-(1,3-benzodioxol-5-yl)ethyl]carbamate
• CAS: 1223615-58-4
• 化学式: C₄₀H₆₄N₂O₁₃
• 分子量: 780.954
• InChiKey: YBQJFINTVJKAHI-XXLZQSKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  192
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  在 甲醇 作用下， 反应 12.0h， 生成 3-O-((3,4-methylenedioxyphenethyl)carbamoyl)-3-O-decladinosylclarithromycin
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 3-O-carbamoyl derivatives of clarithromycin and 11,12-cyclic carbonate azithromycin

  摘要：

  Two series of novel 3-O-carbamoyl derivatives of clarithromycin and 11,12-cyclic carbonate azithromycin were designed, synthesized and evaluated for their in vitro antibacterial activities. Compounds 4j and 4k were the most potent activity against erythromycin-susceptible Staphylococcus aureus, Streptococcus pyogenes and Streptococcus pneumoniae, which were comparable to those of clarithromycin and azithromycin. Compounds 4d, 4h and 4i showed potent activity against erythromycin-resistant S. pneumoniae encoded by the mef gene and compounds 4h and 4i displayed greatly improved activity against erythromycin-resistant S. pneumoniae encoded by the erm gene. Compound 7c exhibited improved activity against erythromycin-resistant S. pneumoniae encoded by the erm and mef genes. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.11.032