1-(2'-(6-cyanophenanthridinyl-2-sulfonylamino)ethyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane | 379711-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(2'-(6-cyanophenanthridinyl-2-sulfonylamino)ethyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 2-[4,7-Bis(carboxymethyl)-10-[2-[(6-cyanophenanthridin-2-yl)sulfonylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 379711-70-3
• 化学式: C₃₀H₃₇N₇O₈S
• 分子量: 655.732
• InChiKey: PFKJTLGUJHWSFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  216
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  europium(III) chloride hexahydrate 、 1-(2'-(6-cyanophenanthridinyl-2-sulfonylamino)ethyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane 在 sodium hydroxide 作用下， 以 水 为溶剂， 以83%的产率得到europium(III) 1-(2'-(6-cyanophenanthridinyl-2-sulfonylamino)ethyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Narrow-Range Optical pH Sensors Based on Luminescent Europium and Terbium Complexes Immobilized in a Sol Gel Glass

  摘要：

  The metal-based emission of a series of luminescent europium and terbium complexes incorporating an aromatic chromophore is rendered pH-dependent either through perturbation of the aryl singlet or triplet energy or by modulating the degree of quenching of the lanthanide excited state. Systems exhibiting each of these pathways have been incorporated in thin-film sot gel matrixes and evaluated as pH sensors in static and flow analyses at constant ionic strength. pH-dependent intensity or ratiometric methods, for emission or excitation spectra, have been defined for lanthanide complexes incorporating substituted phenanthridine (pK(a)* from ca. 6.8 to 7.2) or 6-cyanophenanthridine-2-sulfonyl chromophores (pK(a) similar to 7.14 in human serum solution) (lambda (exc) 365 nm, phiH(2)O = 7.2%).

  DOI：

  10.1021/ic010371w