(S)-(+)-1-(1-[11C]甲基-1H-吡咯-2-基)-2-苯基-2-(1-吡咯烷基)乙酮 | 1016165-52-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (S)-(+)-1-(1-[11C]甲基-1H-吡咯-2-基)-2-苯基-2-(1-吡咯烷基)乙酮
• 英文名称: (S)-(+)-1-(1-[11C]methyl-1H-pyrrol-2-yl)-2-phenyl-2-(1-pyrrolidinyl)ethanone
• 英文别名: (2S)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
• CAS: 1016165-52-8
• 化学式: C₁₇H₂₀N₂O
• 分子量: 267.348
• InChiKey: CEUDXLQWFMCTJL-FLPNQHGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  25.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [11C]methyl iodide 、 (S)-(+)-2-phenyl-(1H-pyrrol-2-yl)-2-(1-pyrrolidinyl)ethanone 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.02h， 生成 (S)-(+)-1-(1-[11C]甲基-1H-吡咯-2-基)-2-苯基-2-(1-吡咯烷基)乙酮
  参考文献：
  名称：

  Synthesis and Cerebral Uptake of 1-(1-[¹¹C]Methyl-1H-pyrrol-2-yl)-2-phenyl-2-(1-pyrrolidinyl)ethanone, a Novel Tracer for Positron Emission Tomography Studies of Monoamine Oxidase Type A

  摘要：

  (R)-(-)- and (S)-(+)-1-(1-[C-11]methyl-1H-pyrrol-2-yl)-2-phenyl-2-(1-pyrrolidinyl)ethanone 4 and 5 were synthesized, and their properties as tracers for positron emission tomography (PET) studies of monoamine oxidase type A (MAO-A) in the brain of living pigs were tested. Parametric maps of the distribution volume (V-d) 4 in pig brain were qualitatively similar to those obtained with [C-11]harmine, with prominent binding in the ventral forebrain and mesencephalon. Its binding was highly vulnerable to MAO blockade, suggesting a binding potential as high as 2 for MAO-A sites. The slow plasma metabolism of 4 and 5 may present advantages over [C-11]harmine for routine PET studies of MAO-A.

  DOI：

  10.1021/jm701378e