tert-butyl 2,2',2''-(10-((3-((bis(pyridin-2-ylmethyl)amino)methyl)quinoxalin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate | 1421321-96-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2,2',2''-(10-((3-((bis(pyridin-2-ylmethyl)amino)methyl)quinoxalin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
• CAS: 1421321-96-1
• 化学式: C₄₈H₆₉N₉O₆
• 分子量: 868.133
• InChiKey: KAONEFHACOHNQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 重原子数：
  63.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  146.66
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2,2',2''-(10-((3-((bis(pyridin-2-ylmethyl)amino)methyl)quinoxalin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 在 三氟乙酸 作用下， 反应 24.0h， 以0.717 g的产率得到2,2',2''-(10-((3-((bis(pyridin-2-ylmethyl)amino)methyl)quinoxalin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
  参考文献：
  名称：

  A Europium-based luminescent chemosensor for Zn2+ with quinoxaline as the antenna

  摘要：

  A lanthanide-based luminescent probe [EuL] for Zn2+ was synthesized utilizing a DO3A ring as the Eu3+ chelator and a DPA moiety as the Zn2+ chelator. A quinoxaline functioned as both the linker and antenna. The two nitrogen atoms in quinoxaline are involved in the Eu3+ and Zn2+ binding, respectively. It gave an excitation at 336 nm for [EuL], which was longer than the reported values of this type of probes at present. Moreover, the titration studies provided a dissociation constant (K-d) of 55 nM for [EuL] while the competition investigation indicated that [EuL] had an affinity comparable to that of TPA (K-d 0.014 nM). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.108
• 作为产物：
  描述：

  2,3-双(溴甲基)喹喔啉 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 26.0h， 生成 tert-butyl 2,2',2''-(10-((3-((bis(pyridin-2-ylmethyl)amino)methyl)quinoxalin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  参考文献：
  名称：

  A Europium-based luminescent chemosensor for Zn2+ with quinoxaline as the antenna

  摘要：

  A lanthanide-based luminescent probe [EuL] for Zn2+ was synthesized utilizing a DO3A ring as the Eu3+ chelator and a DPA moiety as the Zn2+ chelator. A quinoxaline functioned as both the linker and antenna. The two nitrogen atoms in quinoxaline are involved in the Eu3+ and Zn2+ binding, respectively. It gave an excitation at 336 nm for [EuL], which was longer than the reported values of this type of probes at present. Moreover, the titration studies provided a dissociation constant (K-d) of 55 nM for [EuL] while the competition investigation indicated that [EuL] had an affinity comparable to that of TPA (K-d 0.014 nM). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.108