| 1203669-81-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1203669-81-1
• 化学式: C₅₃H₉₂N₆O₂₅
• 分子量: 1213.34
• InChiKey: QLZIZQZFHYBBGX-VSOBSSQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  84.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  423.81
• 氢给体数：
  12.0
• 氢受体数：
  25.0

反应信息

• 作为反应物：
  描述：

  Fmoc-Lys-Trp-OBn 、 以 甲醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and antibacterial activity of amphiphilic lysine-ligated neomycin B conjugates

  摘要：

  Amphiphilic lysine-ligated neomycin B building blocks were prepared by reductive amination of a protected C5 ''-modified neomycin B-based aldehyde and side chain-unprotected lysine or lysine-containing peptides. It was demonstrated that a suitably protected lysine-ligated neomycin B conjugate (NeoK) serves as a building block for peptide synthesis, enabling incorporation of aminoglycoside binding sites into peptides. Antibacterial testing of three amphiphilic lysine-ligated neomycin B conjugates against a representative panel of Gram-positive and Gram-negative strains demonstrates that C5 ''-modified neomycin-lysine conjugate retains antibacterial activity. However, in most cases the lysine-ligated neomycin B analogs display reduced potency against Gram-positive strains when compared to unmodified neomycin B or unligated peptide. An exception is MRSA where an eightfold enhancement was observed. When compared to unmodified neomycin B, the prepared lysine-neomycin conjugates exhibited a 4-8-fold enhanced Gram-negative activity against Pseudomonas aeruginosa and up to 12-fold enhanced activity was observed when compared to unligated reference peptides. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.01.015
• 作为产物：
  描述：

  hexa-N-Boc neomycin B 在 2,2,6,6-四甲基哌啶氧化物 三氯异氰尿酸 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  HYDROPHOBICALLY ENHANCED AMINOGLYCOSIDES

  摘要：

  疏水增强型氨基糖苷类化合物已经制备并显示出有效的抗菌作用。这些化合物可以用于治疗或预防各种细菌感染。制备这些化合物的方法也便于合成。公式（I）。

  公开号：

  US20110178037A1