ZINC;4-[(8,8,20,20,41,41-hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,47,49-hexaza-46,48-diazanidadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1,3(49),4,6(10),11,13,15,17,22,24,26,28(33),29,31,34(47),35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: ZINC;4-[(8,8,20,20,41,41-hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,47,49-hexaza-46,48-diazanidadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1,3(49),4,6(10),11,13,15,17,22,24,26,28(33),29,31,34(47),35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid
• 化学式: C₄₇H₃₂N₈O₁₀S*Zn
• 分子量: 966.275
• InChiKey: ZDZPSKYIHZJVBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.69
• 重原子数：
  67
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  204
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  5,6-dicyano-2,2-dimethyl-1,3-benzodioxole 、 4-(4-phenoxy-1,2-dicarbonitrile)benzenesulfonic acid 在 zinc diacetate 、 lithium 作用下， 以 戊醇 为溶剂， 反应 22.0h， 生成 ZINC;4-[(8,8,20,20,41,41-hexamethyl-7,9,19,21,40,42-hexaoxa-2,14,26,35,47,49-hexaza-46,48-diazanidadodecacyclo[34.9.1.13,13.115,25.127,34.04,12.06,10.016,24.018,22.028,33.037,45.039,43]nonatetraconta-1,3(49),4,6(10),11,13,15,17,22,24,26,28(33),29,31,34(47),35,37,39(43),44-nonadecaen-30-yl)oxy]benzenesulfonic acid
  参考文献：
  名称：

  Cyclodextrin Dimers as Cleavable Carriers of Photodynamic Sensitizers

  摘要：

  Several phthalocyanines carrying hydrophobic components have been synthesized and shown to bind to a group of cyclodextrin dimers with a carbon-carbon double bond in the linker. The complexes are soluble in water. On irradiation in the presence of oxygen, the singlet oxygen produced cleaves the olefinic linkers in the complexes, resulting in precipitation of the sensitizers. This process concentrates the sensitizers in the light beam, a process that has useful potential in photodynamic therapy.

  DOI：

  10.1021/ja011709o

文献信息

• Cyclodextrin Dimers as Cleavable Carriers of Photodynamic Sensitizers
  作者：Simon D. P. Baugh、Zhiwei Yang、David K. Leung、David M. Wilson、Ronald Breslow

  DOI：10.1021/ja011709o

  日期：2001.12.19

  Several phthalocyanines carrying hydrophobic components have been synthesized and shown to bind to a group of cyclodextrin dimers with a carbon-carbon double bond in the linker. The complexes are soluble in water. On irradiation in the presence of oxygen, the singlet oxygen produced cleaves the olefinic linkers in the complexes, resulting in precipitation of the sensitizers. This process concentrates the sensitizers in the light beam, a process that has useful potential in photodynamic therapy.