| 533923-28-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 533923-28-3
• 化学式: C₄₈H₆₀F₃N₅O₁₉
• 分子量: 1068.02
• InChiKey: OGCAACBPBTUGNY-NBVPUERVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.77
• 重原子数：
  75.0
• 可旋转键数：
  20.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  351.72
• 氢给体数：
  12.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal ammonium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 溶剂黄146 为溶剂， 反应 44.0h， 生成 amikacin
  参考文献：
  名称：

  Probing the functional requirements of the l-haba side-chain of amikacin—synthesis, 16S A-site rRNA binding, and antibacterial activity

  摘要：

  The 1-amino group in amikacin was acylated with a variety of 2-hydroxy aminocarboxylic acids to probe the effect of acylation on ribosomal binding and antibacterial activity. The N-hydroxy urea analogue of amikacin (8a) in which the 2-S-hydroxyl-bearing carbon was replaced by an N-OH group was equally active against S. aureus and E. coli in vitro. The analogous tobramycin variant 9 was more active than amikacin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01625-3
• 作为产物：
  描述：

  N-苄氧羰基-4-氨基丁酸 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Probing the functional requirements of the l-haba side-chain of amikacin—synthesis, 16S A-site rRNA binding, and antibacterial activity

  摘要：

  The 1-amino group in amikacin was acylated with a variety of 2-hydroxy aminocarboxylic acids to probe the effect of acylation on ribosomal binding and antibacterial activity. The N-hydroxy urea analogue of amikacin (8a) in which the 2-S-hydroxyl-bearing carbon was replaced by an N-OH group was equally active against S. aureus and E. coli in vitro. The analogous tobramycin variant 9 was more active than amikacin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01625-3