N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine | 890935-97-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine
• 英文别名: 2-[bis(3-ethoxypropyl)phosphanyl]-N-[2-[bis(3-ethoxypropyl)phosphanyl]ethyl]-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
• CAS: 890935-97-4
• 化学式: C₃₅H₇₃NO₉P₂
• 分子量: 713.913
• InChiKey: FTLQUDPOXFWYSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  47
• 可旋转键数：
  28
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  sodium [99Tc]pertechnetate 、 N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine 、 水 在 HCl 作用下， 以 水 为溶剂， 生成 [(99)Tc(CO)3(N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine](1+)
  参考文献：
  名称：

  Synthesis, characterization and X-ray crystal structure of [Re(L4)(CO)3]Br·2CH3OH (L4=N,N-bis[(2-diphenylphosphino)ethyl]methoxyethylamine): A model compound for novel cationic 99mTc(I)-tricarbonyl radiotracers useful for heart imaging

  摘要：

  This report describes synthesis and evaluation of cationic complexes, [Tc-99m(CO)(3)(L)](+) (L = N-methoxyethyl-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L1), N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L2) and N-[(18-crown-6)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L3)) as potential radiotracers for heart imaging. Preliminary results from biodistribution studies in female adult BALB-c mice indicated that the cationic Tc-99m(I)-tricarbonyl complex, [Tc-99m(CO)(3)(L2)](+), has a significant localization in the heart at 60 min post-injection. To understand the coordination chemistry of these bisphosphine ligands with the Tc-99m(I)-tricarbonyl core, we prepared [Re(CO)(3)(L-4)]Br (L4: N,N-bis[(2-diphenylphosphino)ethyl]methoxyethylamine) as a model compound. [Re(CO)3(L4)]Br has been characterized by elemental analysis, IR, ESI-MS, NMR (H-1, C-13, H-1-H-1 COSY, and H-1-C-13 HMQC) methods, and X-ray crystallography. In solid state, [Re(CO)3(L4)]+ has a distorted octahedron coordination geometry with PNP occupying one facial plane. The chelator backbone adopts a "chair" conformation with phosphine-P atoms at equatorial positions and the amine-N at the apical site. In solution, [Re(CO)(3)(L4)](+) is able to maintain its cationic nature with no dissociation of carbonyl ligands or any of the three PNP donors. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.02.011

文献信息

• Novel cationic metal complex radiopharmaceuticals
  申请人：Liu Shuang

  公开号：US20080124273A1

  公开（公告）日：2008-05-29

  This invention relates to novel cationic crown-ether containing metal complexes, methods of preparing the cationic crown-ether containing metal complexes, and radiopharmaceutical compositions comprising the cationic crown-ether containing metal complexes. This invention relates particularly to cationic crown-ether containing 99m Tc complex radiopharmaceuticals for diagnosis of cardiovascular disorders and cancer. This invention further relates to cationic crown-ether containing 186/188 Re complex radiopharmaceuticals for radiotherapy of cardiovascular disorders and cancer.
• Synthesis, characterization and X-ray crystal structure of [Re(L4)(CO)3]Br·2CH3OH (L4=N,N-bis[(2-diphenylphosphino)ethyl]methoxyethylamine): A model compound for novel cationic 99mTc(I)-tricarbonyl radiotracers useful for heart imaging
  作者：Young-Seung Kim、Zhengjie Hea、Roger Schibli、Shuang Liu

  DOI：10.1016/j.ica.2006.02.011

  日期：2006.5

  This report describes synthesis and evaluation of cationic complexes, [Tc-99m(CO)(3)(L)](+) (L = N-methoxyethyl-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L1), N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L2) and N-[(18-crown-6)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine (L3)) as potential radiotracers for heart imaging. Preliminary results from biodistribution studies in female adult BALB-c mice indicated that the cationic Tc-99m(I)-tricarbonyl complex, [Tc-99m(CO)(3)(L2)](+), has a significant localization in the heart at 60 min post-injection. To understand the coordination chemistry of these bisphosphine ligands with the Tc-99m(I)-tricarbonyl core, we prepared [Re(CO)(3)(L-4)]Br (L4: N,N-bis[(2-diphenylphosphino)ethyl]methoxyethylamine) as a model compound. [Re(CO)3(L4)]Br has been characterized by elemental analysis, IR, ESI-MS, NMR (H-1, C-13, H-1-H-1 COSY, and H-1-C-13 HMQC) methods, and X-ray crystallography. In solid state, [Re(CO)3(L4)]+ has a distorted octahedron coordination geometry with PNP occupying one facial plane. The chelator backbone adopts a "chair" conformation with phosphine-P atoms at equatorial positions and the amine-N at the apical site. In solution, [Re(CO)(3)(L4)](+) is able to maintain its cationic nature with no dissociation of carbonyl ligands or any of the three PNP donors. (c) 2006 Elsevier B.V. All rights reserved.