Methyl 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methoxycarbonylphenyl)methoxy]-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]oxymethyl]benzoate | 569669-97-2

• 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: Methyl 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methoxycarbonylphenyl)methoxy]-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]oxymethyl]benzoate
• 英文别名: methyl 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methoxycarbonylphenyl)methoxy]-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]oxymethyl]benzoate
• CAS: 569669-97-2
• 化学式: C₆₂H₇₂O₈
• 分子量: 945.249
• InChiKey: FIDZSKJVCULAGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.3
• 重原子数：
  70
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methoxycarbonylphenyl)methoxy]-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]oxymethyl]benzoate 在 草酰氯 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 4.08h， 生成
  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
• 作为产物：
  描述：

  对溴甲基苯甲酸 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 Methyl 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methoxycarbonylphenyl)methoxy]-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]oxymethyl]benzoate
  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

• Neutral guests complexation with calix[4]arenes preorganised by intramolecular McMurry reaction
  作者：Pavel Lhoták、Roman Zieba、Vit Hromádko、Ivan Stibor、Jan Sykora

  DOI：10.1016/s0040-4039(03)00994-8

  日期：2003.6

  The introduction of two aromatic aldehyde moieties into the lower rim of calix[4]arenes led to the precursors that were intramolecularly bridged in the presence of low-valent titanium agents (the McMurry reaction). These compounds, preorganised in the cone conformation, represent novel receptors with good complexation ability towards suitable neutral guest molecules both in solution and in the solid

  在杯[4]芳烃的下边缘引入两个芳族醛基，导致前体在低价钛试剂存在下分子内桥接（McMurry反应）。这些以圆锥构象预组织的化合物代表了对合适的中性客体分子均具有良好络合能力的新型受体，无论是溶液形式还是固态形式。研究了受体的预组织和整体刚性对络合过程的影响。
• 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.