| 861401-16-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 861401-16-3
• 化学式: C₄₈H₈₆N₆O₂₀
• 分子量: 1067.24
• InChiKey: YDIRIHTVTGPJST-ZFMPHAKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  74.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  350.03
• 氢给体数：
  10.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  、 环己酮二甲缩酮 在 对甲苯磺酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 50.0 ℃ 、6.4 kPa 条件下， 生成
  参考文献：
  名称：

  Effect of varying the 4″-position of arbekacin derivatives on antibacterial activity against MRSA and Pseudomonas aeruginosa

  摘要：

  4 ''-Deoxy-4 ''-episubstituted arbekacin derivatives and 4 ''-epi-5-deoxy-5-episubstituted arbekacin derivatives were designed and synthesized. Arbekacin and 4 ''-epiarbekacin both displayed the same antibacterial activity against Staphylococcus aureus (including methicillin-resistant S. aureus (MRSA)) and Pseudomonas aeruginosa. The 4 ''-epi-5-deoxy-5-episubstituted arbekacin derivatives showed potent antibacterial activity. Among them, the antibacterial activity of 5,4 ''-diepiarbekacin was superior to that of arbekacin or 5-episubstituted arbekacin against Gram-positive and Gram-negative bacteria. The 6 '-N-methyl derivative of the 5,4 ''-diepiarbekacin was effective against P. aeruginosa expressing an aminoglycoside-modifying enzyme AAC(6 ')-Ib. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.059
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antibacterial activity of 5-deoxy-5-episubstituted arbekacin derivatives

  摘要：

  5-Deoxy-5-episubstituted arbekacin derivatives have been designed and efficiently synthesized. The synthetic compounds showed potent antibacterial activity against both Staphylococcus aureus, including methicillin-resistant S. aureus, and Pseudomonas aeruginosa. In particular, these derivatives were superior to arbekacin against MRSA strains expressing the bifunctional aminoglycoside-modifying enzyme AAQ6')-APH(2"). The antibacterial activity of the 5-deoxy-5-episubstituted arbekacin derivatives against Pseudomonas aeruginosa was markedly influenced by the efflux system of MexXY/OprM. The 6'-N-methyl derivative of the 5-epi arbekacin was effective against Pseudomonas aeruginosa expressing the aminoglycoside-modifying enzyme AAC(6'). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.065

文献信息

• EP1710248
  申请人：——

  公开号：——

  公开（公告）日：——