| 1334286-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• CAS: 1334286-51-9
• 化学式: C₅₁H₄₆EuN₉O₉
• 分子量: 1080.94
• InChiKey: GIGICNJAKVXDQG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 以 乙醇 、 水 为溶剂， 以59%的产率得到[(Ru((NC₅H₄)2)2)2Eu(O₂CCH₂N(C₂H₄N(CH₂CO₂)CH₂C(O)NHC₆H₄C₁₂H₇N₂)2)(H₂O)]⁽⁴⁺⁾*4Cl^(1-)=C₉₀H₇₆EuN₁₇O₉Ru₂Cl₄
  参考文献：
  名称：

  A Heterobimetallic Ruthenium–Gadolinium Complex as a Potential Agent for Bimodal Imaging

  摘要：

  Trinuclear heterobimetallic Ln(III)-Ru-II cornplexes (Ln = Eu, Gd) based on a 1,10-phenanthroline ligand bearing a diethylenetriaminepentaacetic acid (DTPA) core have been synthesized and fully characterized by a range of experimental techniques. The O-17 NMR and proton nuclear magetic relaxation dispersion (NMRD) measurements of Gd-III-Ru-II show that, in comparison to the parent Gd-DTPA, this complex exhibits improved relaxivity, which is the result of an increase of the rotational correlation time. Relaxometry and ultrafiltration experiments indicate that the 1,10-phenanthroline ligand has a high affinity for noncovalent binding to human serum albumin, which results in a high relaxivity r(1) of 14.3 s(-1) mM(-1) at 20 MHz and 37 degrees C. Furthermore, the Ln(III)-Ru-II complexes (Ln = Eu, Gd) show an intense light absorption in the visible spectral region due to metal-to-ligand charge transfer (MLCT) transitions. Upon excitation into the MLCT band at 440 nm, the complexes exhibit a bright-red luminescence centered at 610 nm, with a quantum yield of 4.7%. The luminescence lifetime equals 540 ns and is therefore long enough to exceed the fluorescent background. Monometallic lanthanide complexes have also been synthesized, and the Eu-III analogue shows a characteristic red luminescence with a quantum yield of 0.8%. Taking into account the relaxometric and luminescent properties, the developed Gd-III-Ru-II complex can be considered as a potential in vitro bimodal imaging agent.

  DOI：

  10.1021/ic200726t
• 作为产物：
  描述：

  甲醇 、 DTPA-(ph-phen)2 、 europium(III) trifluoromethanesulfonate 以 甲醇 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  A Heterobimetallic Ruthenium–Gadolinium Complex as a Potential Agent for Bimodal Imaging

  摘要：

  Trinuclear heterobimetallic Ln(III)-Ru-II cornplexes (Ln = Eu, Gd) based on a 1,10-phenanthroline ligand bearing a diethylenetriaminepentaacetic acid (DTPA) core have been synthesized and fully characterized by a range of experimental techniques. The O-17 NMR and proton nuclear magetic relaxation dispersion (NMRD) measurements of Gd-III-Ru-II show that, in comparison to the parent Gd-DTPA, this complex exhibits improved relaxivity, which is the result of an increase of the rotational correlation time. Relaxometry and ultrafiltration experiments indicate that the 1,10-phenanthroline ligand has a high affinity for noncovalent binding to human serum albumin, which results in a high relaxivity r(1) of 14.3 s(-1) mM(-1) at 20 MHz and 37 degrees C. Furthermore, the Ln(III)-Ru-II complexes (Ln = Eu, Gd) show an intense light absorption in the visible spectral region due to metal-to-ligand charge transfer (MLCT) transitions. Upon excitation into the MLCT band at 440 nm, the complexes exhibit a bright-red luminescence centered at 610 nm, with a quantum yield of 4.7%. The luminescence lifetime equals 540 ns and is therefore long enough to exceed the fluorescent background. Monometallic lanthanide complexes have also been synthesized, and the Eu-III analogue shows a characteristic red luminescence with a quantum yield of 0.8%. Taking into account the relaxometric and luminescent properties, the developed Gd-III-Ru-II complex can be considered as a potential in vitro bimodal imaging agent.

  DOI：

  10.1021/ic200726t