2-[[4-[2-[[(2S)-2,6-bis[(3,4,5-trihydroxybenzoyl)amino]hexanoyl]amino]ethylamino]-4-oxobutanoyl]-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate | 1446912-38-4

• 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: 2-[[4-[2-[[(2S)-2,6-bis[(3,4,5-trihydroxybenzoyl)amino]hexanoyl]amino]ethylamino]-4-oxobutanoyl]-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate
• CAS: 1446912-38-4
• 化学式: C₅₈H₉₃N₅O₁₅
• 分子量: 1100.4
• InChiKey: CANIQLUYEHAEDR-GWHBCOKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  78
• 可旋转键数：
  47
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  311
• 氢给体数：
  10
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  (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 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以92%的产率得到2-[[4-[2-[[(2S)-2,6-bis[(3,4,5-trihydroxybenzoyl)amino]hexanoyl]amino]ethylamino]-4-oxobutanoyl]-(2-tetradecanoyloxyethyl)amino]ethyl 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