(S)-N,N'-(6-((2-aminoethyl)amino)-6-oxohexane-1,5-diyl)bis(3,4,5-tris(benzyloxy)benzamide) | 1446912-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-N,N'-(6-((2-aminoethyl)amino)-6-oxohexane-1,5-diyl)bis(3,4,5-tris(benzyloxy)benzamide)
• CAS: 1446912-36-2
• 化学式: C₆₄H₆₄N₄O₉
• 分子量: 1033.23
• InChiKey: SKHYBLVVCGVLSL-GNFJTHHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.93
• 重原子数：
  77.0
• 可旋转键数：
  29.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  168.7
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  4-(bis(2-(tetradecanoyloxy)ethyl)amino)-4-oxobutanoic acid 、 (S)-N,N'-(6-((2-aminoethyl)amino)-6-oxohexane-1,5-diyl)bis(3,4,5-tris(benzyloxy)benzamide) 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 (S)-1,8,13,16-tetraoxo-17-(2-(tetradecanoyloxy)ethyl)-7-(3,4,5-tris(benzyloxy)benzamido)-1-(3,4,5-tris(benzyloxy)phenyl)-2,9,12,17-tetraazanonadecan-19-yl tetradecanoate
  参考文献：
  名称：

  Design and Synthesis of Novel Janus Dendrimers as Lipophilized Antioxidants

  摘要：

  In the search for better antioxidants with more satisfactory lipophilicity, a series of Janus dendrimers that consisted of gallic acid and alkyl chains as the peripheral groups, were designed and synthesized. These dendrimers take advantage of a dendritic display to carry multi-antioxidants and multi-lipophilic moieties simultaneously. Consequently, the resulting dendrimers, which showed satisfactory lipophilicity and better antioxidant activity than the gallic acid monomer, are potential novel lipophilized antioxidant agents.

  DOI：

  10.1055/s-0032-1318457
• 作为产物：
  描述：

  3,4,5-三苄氧基苯甲酸 在 水 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 50.5h， 生成 (S)-N,N'-(6-((2-aminoethyl)amino)-6-oxohexane-1,5-diyl)bis(3,4,5-tris(benzyloxy)benzamide)
  参考文献：
  名称：

  Design and Synthesis of Novel Janus Dendrimers as Lipophilized Antioxidants

  摘要：

  In the search for better antioxidants with more satisfactory lipophilicity, a series of Janus dendrimers that consisted of gallic acid and alkyl chains as the peripheral groups, were designed and synthesized. These dendrimers take advantage of a dendritic display to carry multi-antioxidants and multi-lipophilic moieties simultaneously. Consequently, the resulting dendrimers, which showed satisfactory lipophilicity and better antioxidant activity than the gallic acid monomer, are potential novel lipophilized antioxidant agents.

  DOI：

  10.1055/s-0032-1318457