zinc;5,8,23,26,32,35-hexabutoxy-15-isothiocyanato-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene | 862428-55-5

• 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;5,8,23,26,32,35-hexabutoxy-15-isothiocyanato-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene
• CAS: 862428-55-5
• 化学式: C₅₇H₆₃N₉O₆SZn
• 分子量: 1067.64
• InChiKey: LSQLKVVUALPGEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.93
• 重原子数：
  74
• 可旋转键数：
  25
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  176
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  硫光气 、 zinc;14,17,23,26,32,35-hexabutoxy-2,11,20,29,38,39-hexaza-37,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-nonadecaen-6-amine 以 二氯甲烷 为溶剂， 生成 zinc;5,8,23,26,32,35-hexabutoxy-15-isothiocyanato-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene
  参考文献：
  名称：

  Near IR emitting isothiocyanato-substituted fluorophores: their synthesis and bioconjugation to monoclonal antibodies

  摘要：

  报道了两种基于酞菁和萘菁发色团的近红外发射荧光团，它们也带有适合与蛋白质共轭的单个异硫氰基团；通过与单克隆抗体共轭以及这些共轭物选择性结合带有相关抗原的细胞的能力，证明了它们作为发光探针的用途。

  DOI：

  10.1039/b504334d

文献信息

• Near IR emitting isothiocyanato-substituted fluorophores: their synthesis and bioconjugation to monoclonal antibodies
  作者：Wubiao Duan、Karen Smith、Huguette Savoie、John Greenman、Ross W. Boyle

  DOI：10.1039/b504334d

  日期：——

  Two near IR emitting fluorophores, based on the phthalocyanine and naphthalocyanine chromophores, which also bear a single isothiocyanato group suitable for conjugation to proteins are reported; their utility as luminescent probes is demonstrated by conjugation to monoclonal antibodies and the ability of these conjugates to selectively bind cells bearing the relevant antigen.

  报道了两种基于酞菁和萘菁发色团的近红外发射荧光团，它们也带有适合与蛋白质共轭的单个异硫氰基团；通过与单克隆抗体共轭以及这些共轭物选择性结合带有相关抗原的细胞的能力，证明了它们作为发光探针的用途。