3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane | 900179-82-0

• 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: 3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane
• 英文别名: 3,11,19-Tris[(2-nitrophenyl)sulfonyl]-3,11,15,19,25,26-hexazatricyclo[19.3.1.15,9]hexacosa-1(24),5,7,9(26),21(25),22-hexaene；3,11,19-tris[(2-nitrophenyl)sulfonyl]-3,11,15,19,25,26-hexazatricyclo[19.3.1.15,9]hexacosa-1(24),5,7,9(26),21(25),22-hexaene
• CAS: 900179-82-0
• 化学式: C₃₈H₃₉N₉O₁₂S₃
• 分子量: 909.979
• InChiKey: JQEQCGLDJWAMGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  62
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  313
• 氢给体数：
  1
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane 、 4-咪唑甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 11-[(imidazol-4-yl)methyl]-3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane
  参考文献：
  名称：

  Regio-selective synthesis of polyazacyclophanes incorporating a pendant group as potential cleaving agents of mRNA 5′-cap structure

  摘要：

  A terpyridine or an imidazole unit has been tethered to an N-protected polyazacyclophane to give the appropriate N-monofunctionalized polyazacyclophane. After mild deprotection, four polyazacyclophanes incorporating a pendant group were obtained in satisfactory yields. Their preliminary cleavage ability of mRNA 5'-cap model was studied at pH 7.2. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2007.08.102
• 作为产物：
  描述：

  11-(tert-butoxycarbonyl)-3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane
  参考文献：
  名称：

  Regio-selective synthesis of polyazacyclophanes incorporating a pendant group as potential cleaving agents of mRNA 5′-cap structure

  摘要：

  A terpyridine or an imidazole unit has been tethered to an N-protected polyazacyclophane to give the appropriate N-monofunctionalized polyazacyclophane. After mild deprotection, four polyazacyclophanes incorporating a pendant group were obtained in satisfactory yields. Their preliminary cleavage ability of mRNA 5'-cap model was studied at pH 7.2. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2007.08.102