5,11,17,23,29,35-hexa(1-imidazolylmethyl)-37,38,39,40,41,42-hexamethoxycalix[6]arene | 1245698-67-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23,29,35-hexa(1-imidazolylmethyl)-37,38,39,40,41,42-hexamethoxycalix[6]arene
• 英文别名: Imidazole-Calixarene；1-[[11,17,23,29,35-pentakis(imidazol-1-ylmethyl)-37,38,39,40,41,42-hexamethoxy-5-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]methyl]imidazole
• CAS: 1245698-67-2
• 化学式: C₇₂H₇₂N₁₂O₆
• 分子量: 1201.44
• InChiKey: AVSPBIBCLZDBBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  90
• 可旋转键数：
  18
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  162
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  咪唑 、 5,11,17,23,29,35-六(氯甲基)-37,38,39,40,41,42-六甲氧基-七环[31.3.1.13,7.19,13.115,19.121,25.127,31]四十二碳-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-十八烯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 168.0h， 以11%的产率得到5,11,17,23,29,35-hexa(1-imidazolylmethyl)-37,38,39,40,41,42-hexamethoxycalix[6]arene
  参考文献：
  名称：

  Enhancement of transcriptional activity of mutant p53 tumor suppressor protein through stabilization of tetramer formation by calix[6]arene derivatives

  摘要：

  Li-Fraumeni syndrome, a hereditary disorder characterized by familial clusters of early-onset multiple tumors, is caused by mutation of the TP53 gene, which encodes the p53 tumor suppressor protein. Mutation of Arg337 to histidine in the tetramerization domain of p53 is most frequently observed in Li-Fraumeni syndrome. This mutation is reported to destabilize the tetrameric structure of p53. We designed and synthesized calix[6] arene derivatives, which have six imidazole or pyrazole groups at the upper rim. In this study, we report, for the first time, the enhancement of the in vivo transcriptional activity of the most common Li-Fraumeni p53 mutant by imidazole-calix[6] arene through stabilization of the oligomer formation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.053

文献信息

• Enhancement of transcriptional activity of mutant p53 tumor suppressor protein through stabilization of tetramer formation by calix[6]arene derivatives
  作者：Rui Kamada、Wataru Yoshino、Takao Nomura、Yoshiro Chuman、Toshiaki Imagawa、Takanori Suzuki、Kazuyasu Sakaguchi

  DOI：10.1016/j.bmcl.2010.06.053

  日期：2010.8

  Li-Fraumeni syndrome, a hereditary disorder characterized by familial clusters of early-onset multiple tumors, is caused by mutation of the TP53 gene, which encodes the p53 tumor suppressor protein. Mutation of Arg337 to histidine in the tetramerization domain of p53 is most frequently observed in Li-Fraumeni syndrome. This mutation is reported to destabilize the tetrameric structure of p53. We designed and synthesized calix[6] arene derivatives, which have six imidazole or pyrazole groups at the upper rim. In this study, we report, for the first time, the enhancement of the in vivo transcriptional activity of the most common Li-Fraumeni p53 mutant by imidazole-calix[6] arene through stabilization of the oligomer formation. (C) 2010 Elsevier Ltd. All rights reserved.