[3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane]-11-acetic acid | 959909-32-1

• 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]-11-acetic acid
• CAS: 959909-32-1
• 化学式: C₄₀H₄₁N₉O₁₄S₃
• 分子量: 968.015
• InChiKey: BILGULBCARTEIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  66.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  307.88
• 氢给体数：
  1.0
• 氢受体数：
  16.0

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]-11-acetic acid 、 3-([2,2' :6',2''-terpyridin]-4'-yloxy)propan-1-amin 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以86%的产率得到11-{3-aza-2-oxo-6[(2,2':6',2''-terpyridin-4'-yl)oxy]hexyl}-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-(2-ethyloxy-2-oxoethyl)-3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 [3,7,15-tris(2-nitrobenzenesulfonyl)-1,5(2,6)-dipyridina-3,7,11,15-tetraazacyclohexadecaphane]-11-acetic acid
  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