6-[6-(N,N′-di-tert-butoxycarbonylguanidino)hexanoylamino]hexanoic acid | 1580002-32-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-[6-(N,N′-di-tert-butoxycarbonylguanidino)hexanoylamino]hexanoic acid
• CAS: 1580002-32-9
• 化学式: C₂₃H₄₂N₄O₇
• 分子量: 486.609
• InChiKey: FLKNTCQLIPSWLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  155.42
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-[6-(N,N′-di-tert-butoxycarbonylguanidino)hexanoylamino]hexanoic acid 、 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 22.0h， 生成
  参考文献：
  名称：

  Expansion of Antibacterial Spectrum of Muraymycins toward Pseudomonas aeruginosa

  摘要：

  It is urgent to develop novel anti-Pseudomonas agents that should also be active against multidrug resistant P. aeruginosa. Expanding the antibacterial spectrum of muraymycins toward P. aeruginosa was investigated by the systematic structure activity relationship study. It was revealed that two functional groups, a lipophilic side chain and a guanidino group, at the accessory moiety of muraymycins were important for the anti-Pseudomonas activity, and analogue 29 exhibited antibacterial activity against a range of P. aeruginosa strains with the minimum inhibitory concentration values of 4-8 mu g/mL.

  DOI：

  10.1021/ml5000096
• 作为产物：
  描述：

  N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.5h， 生成 6-[6-(N,N′-di-tert-butoxycarbonylguanidino)hexanoylamino]hexanoic acid
  参考文献：
  名称：

  Expansion of Antibacterial Spectrum of Muraymycins toward Pseudomonas aeruginosa

  摘要：

  It is urgent to develop novel anti-Pseudomonas agents that should also be active against multidrug resistant P. aeruginosa. Expanding the antibacterial spectrum of muraymycins toward P. aeruginosa was investigated by the systematic structure activity relationship study. It was revealed that two functional groups, a lipophilic side chain and a guanidino group, at the accessory moiety of muraymycins were important for the anti-Pseudomonas activity, and analogue 29 exhibited antibacterial activity against a range of P. aeruginosa strains with the minimum inhibitory concentration values of 4-8 mu g/mL.

  DOI：

  10.1021/ml5000096