(p-aminophenylthiolato-S)[N-[(N',N'-diethyl)-2-aminoethylene]-N,N-bis(ethylene-2-thiolato-S)amino-N]oxotechnetium(V)-99 | 221100-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (p-aminophenylthiolato-S)[N-[(N',N'-diethyl)-2-aminoethylene]-N,N-bis(ethylene-2-thiolato-S)amino-N]oxotechnetium(V)-99
• CAS: 221100-24-9
• 化学式: C₁₆H₂₈N₃OS₃Tc
• 分子量: 473.616
• InChiKey: CDKXPEPJJIYYGP-SGNQUONSSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  ammonium [(99)Tc]pertechnate 、 N,N-bis(2-mercaptoethyl)-N',N'-diethylethylenediamine 、 4-氨基苯硫酚 在 SnCl₂ 、 sodium gluconate 、 HCl 作用下， 以 甲醇 为溶剂， 以60%的产率得到(p-aminophenylthiolato-S)[N-[(N',N'-diethyl)-2-aminoethylene]-N,N-bis(ethylene-2-thiolato-S)amino-N]oxotechnetium(V)-99
  参考文献：
  名称：

  Synthesis and characterization of five-coordinate rhenium(V) and technetium(V) mixed ligand bifunctional complexes carrying the SNS/S or the SNN/S donor atom set. Crystal structure of ReO{[(C2H5)2NCH2CH2N(CH2CH2S)2](p-H2N–PhS)} and ReO{[(CH2)4NCH2CH2NCH2CH2S](p-H2N–PhS)}

  摘要：

  Two parallel series of bifunctional mixed ligand oxorhenium and oxotechnetium complexes containing the SNS/S or the SNN/S donor atom set are synthesized and characterized in this study. The amine bifunctional anchor is positioned on the common monothiolate p-H2N-Ph-SH coligand, which by reacting in equimolar amounts with a tridentate aminethiolate ligand LH2 [LH2:CH3CH2N(CH2CH2SH)(2), (CH3CH2)(2)NCH2-CH2N(CH2CH2SH)(2), (CH2)(4)NCH2CH2NHCH2CH2SH and (CH3CH2)(2)NCH2CH2NH-CH2CH2SH] and the corresponding oxometal precursor, leads to the generation of these series. Two representative members ReO{[(C2H5)(2)NCH2CH2N(CH2CH2S)(2)](p-H2N-PhS)} and ReO{[(CH2)(4)NCH2CH2NCH2CH2S](p-H2N-PhS)} are further characterized by crystallographic analysis. The SNS/S analogs adopt a distorted trigonal bipyramidal geometry, while the SNN/S ones prefer a distorted square pyramidal geometry around the metal. Extrapolation of structure at tracer level is investigated by chromatographic methods and is established only for the SNS/S, but not for the SNN/S compounds. Thus, by this initial evaluation, the applicability of the bifunctional SNS/S (but not the SNN/S) system for tagging biomolecules with Tc-99m is demonstrated. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00330-2