N-methoxyethyl-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine | 879129-60-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-methoxyethyl-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine
• 英文别名: N,N-bis[2-[bis(3-ethoxypropyl)phosphanyl]ethyl]-2-methoxyethanamine
• CAS: 879129-60-9
• 化学式: C₂₇H₅₉NO₅P₂
• 分子量: 539.717
• InChiKey: YXYINAHIBWZXQU-UHFFFAOYSA-N

物化性质

• 沸点：
  576.4±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  35
• 可旋转键数：
  29
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  sodium [99Tc]pertechnetate 、 N-methoxyethyl-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-methoxyethyl-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.
• [EN] NOVEL CATIONIC METAL COMPLEX RADIOPHARMACEUTICALS<br/>[FR] RADIOPHARMACEUTIQUES A COMPLEXES METALLIQUES CATIONIQUES
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2006080993A1

  公开（公告）日：2006-08-03

  [EN] 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 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.
  [FR] L'invention concerne de nouveaux complexes métalliques contenant un éther couronne cationique, des procédés pour préparer ces complexes métalliques contenant un éther couronne cationique et des compositions radiopharmaceutiques comportant des complexes métalliques contenant un éther couronne cationique. La présente invention porte également sur des radiopharmaceutiques complexes ^99m Tc contenant un éther couronne cationique pour le diagnostic de troubles cardio-vasculaires et du cancer, ainsi que sur des radiopharmaceutiques complexes ^186/188 Re contenant un éther couronne cationique pour la radiothérapie de troubles cardio-vasculaires et du 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.