[(99)Tc(CO)3(N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine](1+) | 890936-00-2

• 英文名称: [(99)Tc(CO)3(N-[(15-crown-5)-2-yl]-N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]amine](1+)
• CAS: 890936-00-2
• 化学式: C₃₈H₇₃NO₁₂P₂Tc
• 分子量: 896.945
• InChiKey: RGARQZDMARHASZ-HIEZTKQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  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