3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane | 900179-81-9

• 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: 3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane
• 英文别名: 3,11,17-Tris[(2-nitrophenyl)sulfonyl]-3,11,14,17,23,24-hexazatricyclo[17.3.1.15,9]tetracosa-1(22),5,7,9(24),19(23),20-hexaene
• CAS: 900179-81-9
• 化学式: C₃₆H₃₅N₉O₁₂S₃
• 分子量: 881.925
• InChiKey: UKTPRFKQVCSQMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane 、 溴乙酸叔丁酯 在 TEA 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以93%的产率得到10-(2-tert-butoxy-2-oxoethyl)-3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane
  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：

  10-(tert-butoxycarbonyl)-3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3,7,13-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,10,13-tetraazacyclotetradecaphane
  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