6-amino-N-[11,17,23-tris(6-aminohexanoylamino)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]hexanamide | 957472-41-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-amino-N-[11,17,23-tris(6-aminohexanoylamino)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]hexanamide
• CAS: 957472-41-2
• 化学式: C₆₄H₉₆N₈O₈
• 分子量: 1105.52
• InChiKey: AMBQMUZNZPUUKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  80
• 可旋转键数：
  36
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  257
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  6-amino-N-[11,17,23-tris(6-aminohexanoylamino)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]hexanamide 、 Boc-L-酪氨酸 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以80%的产率得到
  参考文献：
  名称：

  Calix[4]arene-based ligands as endotoxin receptors

  摘要：

  Three new calix[4]arene-based receptors as potential antimicrobial agents have been synthesized. Their recognition ability towards lipopolysaccharides of Gram-negative bacteria has been studied by NMR and UV titrations. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.06.125
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 反应 1.0h， 生成 6-amino-N-[11,17,23-tris(6-aminohexanoylamino)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]hexanamide
  参考文献：
  名称：

  Calix[4]arene-based ligands as endotoxin receptors

  摘要：

  Three new calix[4]arene-based receptors as potential antimicrobial agents have been synthesized. Their recognition ability towards lipopolysaccharides of Gram-negative bacteria has been studied by NMR and UV titrations. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.06.125

文献信息

• Calix[4]arene-based ligands as endotoxin receptors
  作者：Tommaso Mecca、Francesca Cunsolo

  DOI：10.1016/j.tet.2007.06.125

  日期：2007.10

  Three new calix[4]arene-based receptors as potential antimicrobial agents have been synthesized. Their recognition ability towards lipopolysaccharides of Gram-negative bacteria has been studied by NMR and UV titrations. (C) 2007 Elsevier Ltd. All rights reserved.