N-(oxolan-2-ylmethyl)-5-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[5-oxo-5-(oxolan-2-ylmethylamino)pentoxy]-25-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]oxy]pentanamide | 1493773-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(oxolan-2-ylmethyl)-5-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[5-oxo-5-(oxolan-2-ylmethylamino)pentoxy]-25-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]oxy]pentanamide
• CAS: 1493773-58-2
• 化学式: C₆₄H₉₀N₂O₈
• 分子量: 1015.43
• InChiKey: XTDAUGQOVJYQPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  74
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-溴戊酸 在 草酰氯 、 硫酸 、 potassium carbonate 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 79.17h， 生成 N-(oxolan-2-ylmethyl)-5-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[5-oxo-5-(oxolan-2-ylmethylamino)pentoxy]-25-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]oxy]pentanamide
  参考文献：
  名称：

  Synthesis of new calix[4]arene amide derivatives and investigation of their DNA cleavage activity

  摘要：

  This study comprises the synthesis of new p-tert-butylcalix[4]arene with different amide functional groups and summarises an investigation of their DNA cleavage activities. The structural investigations of the synthesised compounds were examined by FTIR, H-1 NMR, C-13 NMR, elemental analysis and FAB-MS techniques. The interaction between these compounds and pBR322 plasmid DNA has been investigated via agarose gel electrophoresis and, according to the results, compounds 5, 7, 8 and 13 exhibit efficient DNA cleavage activity. In the electrophoresis images of 5, 7 and 8, Form IV which is small DNA fragment was observed in addition to supercoiled Form I, open circular Form II and linear Form III.

  DOI：

  10.1080/10610278.2013.817578

文献信息

• Synthesis of new calix[4]arene amide derivatives and investigation of their DNA cleavage activity
  作者：Şeyda Çiğdem Özkan、Aydan Yilmaz、İsmail Özmen

  DOI：10.1080/10610278.2013.817578

  日期：2014.1.2

  This study comprises the synthesis of new p-tert-butylcalix[4]arene with different amide functional groups and summarises an investigation of their DNA cleavage activities. The structural investigations of the synthesised compounds were examined by FTIR, H-1 NMR, C-13 NMR, elemental analysis and FAB-MS techniques. The interaction between these compounds and pBR322 plasmid DNA has been investigated via agarose gel electrophoresis and, according to the results, compounds 5, 7, 8 and 13 exhibit efficient DNA cleavage activity. In the electrophoresis images of 5, 7 and 8, Form IV which is small DNA fragment was observed in addition to supercoiled Form I, open circular Form II and linear Form III.