25,27-dihydroxy-26,28-bis(4-carboxybutoxy)-5,11,17,23-p-tert-butylcalix[4]arene | 854279-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,27-dihydroxy-26,28-bis(4-carboxybutoxy)-5,11,17,23-p-tert-butylcalix[4]arene
• 英文别名: 5-[[5,11,17,23-tetratert-butyl-27-(4-carboxybutoxy)-26,28-dihydroxy-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]pentanoic acid
• CAS: 854279-87-1
• 化学式: C₅₄H₇₂O₈
• 分子量: 849.161
• InChiKey: MCVXSJOSPQUGBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.23
• 重原子数：
  62.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  133.52
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  25,27-dihydroxy-26,28-bis(4-carboxybutoxy)-5,11,17,23-p-tert-butylcalix[4]arene 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.0h， 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：

  5-溴戊酸 在 硫酸 、 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 72.17h， 生成 25,27-dihydroxy-26,28-bis(4-carboxybutoxy)-5,11,17,23-p-tert-butylcalix[4]arene
  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

• The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core
  作者：Piyali Sarkar、Chhanda Mukhopadhyay

  DOI：10.1039/c6gc02144a

  日期：——

  Mono-acid incorporated calix[4]arene has been successfully established as the catalyst for the synthesis of 8-imino-1-one acridine derivatives obtained by the condensation of enaminoketones and aldehydes (2:1 ratio). In this paper,...

  单酸结合的杯[4]芳烃已成功地建立为用于合成8-亚氨基-1-酮a啶衍生物的催化剂，所述derivatives啶酮是通过烯胺酮和醛的缩合（比例为2：1）而获得的。在本文中，...
• Studies on calix(aza)crowns, II. Synthesis of novel proximal doubly bridged calix[4]arenes by intramolecular ring closure of syn 1,3-and 1,2-ω-chloroalkylamides
  作者：István Bitter、Alajos Grün、Gábor Tóth、Barbara Balázs、Gyula Horváth、László Tõke

  DOI：10.1016/s0040-4020(98)00112-4

  日期：1998.4

  Inherently chiral calix[4]arenes (9,10) with carboxamide bridges spanning the proximal positions on the lower rim and 18 achiral counterparts have been synthesized by double intramolecular cyclization of 7b,8b 1,3-and 17 1,2-bis-chloroalkylamides. The conformational analysis of the 1.3- and 1,2-disubstituted calixarene intermediates 5–8 and 15–17 proved an equilibrium of two distorted cone conformations

  通过分子内双环化7b，8b 1,3-和17 1,2-bis-合成了手性杯[4]芳烃（9,10），其中羧酰胺桥跨越下缘的近端位置和18个非手性对应物。氯烷基酰胺。1.3-和1,2-二取代杯芳烃中间体5-8和15-17的构象分析证明了两个扭曲的圆锥构象的平衡。闭环的成功严格取决于开链前体的链长。
• Li, Jian-Zhang; Zhang, Chun-Chun; Zhou, Bo, Journal of Chemical Research, 2004, # 9, p. 624 - 625
  作者：Li, Jian-Zhang、Zhang, Chun-Chun、Zhou, Bo、Qin, Sheng-Ying

  DOI：——

  日期：——