4"-O-(((benzyl)amino)-4-oxo-butyl)carbamoylclarithromycin | 1235735-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4"-O-(((benzyl)amino)-4-oxo-butyl)carbamoylclarithromycin
• 英文别名: 4''-O-(((benzyl)amino)-4-oxo-butyl)carbamoylclarithromycin；[(2S,3S,4R,6R)-6-[[(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]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[4-(benzylamino)-4-oxobutyl]carbamate
• CAS: 1235735-71-3
• 化学式: C₅₀H₈₃N₃O₁₅
• 分子量: 966.22
• InChiKey: PLLIUAIDYNQDGL-LDSHYKGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  68
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  230
• 氢给体数：
  5
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  在 甲醇 作用下， 反应 24.0h， 生成 4"-O-(((benzyl)amino)-4-oxo-butyl)carbamoylclarithromycin
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 4″-O-arylalkylcarbamoyl and 4″-O-((arylalkylamino)-4-oxo-butyl)carbamoyl clarithromycin derivatives

  摘要：

  Novel series of novel 4 ''-O-arylalkylcarbamoyl and 4 ''-O-((arylalkylamino)-4-oxo-butyl) carbamoyl clarithromycin derivatives were designed, synthesized and evaluated for their in vitro antibacterial activities. These derivatives retained excellent activity against the erythromycin-susceptible strains and showed significantly improved activity against all of the tested erythromycin-resistant strains. Among them, compound 4c was the most effective (0.06 mu g/mL) against Streptococcus pneumonia encoded by the erm gene and compound 4a was had the most potent activity (0.25 mu g/mL) against S. pneumonia encoded by the erm and mef genes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.051