2-{{3-[(3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propyl}-[2-(4-methoxy-benzylsulfanyl)-ethyl]-amino}-N-[2-(4-methoxy-benzylsulfanyl)-ethyl]-acetamide | 256375-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-{{3-[(3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propyl}-[2-(4-methoxy-benzylsulfanyl)-ethyl]-amino}-N-[2-(4-methoxy-benzylsulfanyl)-ethyl]-acetamide
• 英文别名: 2-[3-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
• CAS: 256375-14-1
• 化学式: C₃₇H₅₀ClN₃O₃S₂
• 分子量: 684.407
• InChiKey: SDECZJKRTBNTEX-BNHMMOKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  46
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-{{3-[(3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propyl}-[2-(4-methoxy-benzylsulfanyl)-ethyl]-amino}-N-[2-(4-methoxy-benzylsulfanyl)-ethyl]-acetamide 在 盐酸 、 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以40%的产率得到N-{3-[(3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propyl}-N,N'-bis-[2-(4-methoxy-benzylsulfanyl)-ethyl]-ethane-1,2-diamine
  参考文献：
  名称：

  Synthesis and biological evaluation of two novel DAT-binding technetium complexes containing a piperidine based analogue of cocaine

  摘要：

  Two new technetium complexes containing a piperidine template have been synthesized and evaluated as possible leads for the development of dopamine transporter (DAT) imaging agents. Binding data for the corresponding rhenium complexes containing either a monoaminomonoamide (MAMA') or a diaminodithiol (DADT) chelating unit exhibited significant affinity for the DAT. Initial biodistribution studies in rats revealed only a low brain uptake. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00562-4
• 作为产物：
  描述：

  (3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carbaldehyde 在 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 硼烷四氢呋喃络合物 、 magnesium 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-{{3-[(3S,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propyl}-[2-(4-methoxy-benzylsulfanyl)-ethyl]-amino}-N-[2-(4-methoxy-benzylsulfanyl)-ethyl]-acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of two novel DAT-binding technetium complexes containing a piperidine based analogue of cocaine

  摘要：

  Two new technetium complexes containing a piperidine template have been synthesized and evaluated as possible leads for the development of dopamine transporter (DAT) imaging agents. Binding data for the corresponding rhenium complexes containing either a monoaminomonoamide (MAMA') or a diaminodithiol (DADT) chelating unit exhibited significant affinity for the DAT. Initial biodistribution studies in rats revealed only a low brain uptake. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00562-4

文献信息

• Synthesis and biological evaluation of two novel DAT-binding technetium complexes containing a piperidine based analogue of cocaine
  作者：Alexander Hoepping、John Babich、Jon A. Zubieta、Kenneth M. Johnson、Susanne Machill、Alan P. Kozikowski

  DOI：10.1016/s0960-894x(99)00562-4

  日期：1999.11

  Two new technetium complexes containing a piperidine template have been synthesized and evaluated as possible leads for the development of dopamine transporter (DAT) imaging agents. Binding data for the corresponding rhenium complexes containing either a monoaminomonoamide (MAMA') or a diaminodithiol (DADT) chelating unit exhibited significant affinity for the DAT. Initial biodistribution studies in rats revealed only a low brain uptake. (C) 1999 Elsevier Science Ltd. All rights reserved.