| 1493773-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1493773-60-6
• 化学式: C₆₀H₆₆Cl₂O₆
• 分子量: 954.086
• InChiKey: MNFHIHSTJPBYPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.88
• 重原子数：
  68.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 以 四氢呋喃 为溶剂， 反应 3.0h， 以70%的产率得到4-(((15,35,55,75-tetra-tert-butyl-32,72-dihydroxy-52-((4-((3-morpholinopropyl)carbamoyl)benzyl)oxy)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12-yl)oxy)methyl)benzoic acid
  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：

  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