[¹¹C]dimethylamine | 936910-37-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [¹¹C]dimethylamine
• 英文别名: N-methyl(111C)methanamine
• CAS: 936910-37-1
• 化学式: C₂H₇N
• 分子量: 44.0733
• InChiKey: ROSDSFDQCJNGOL-BJUDXGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [¹¹C]dimethylamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.2h， 生成 (11)C-(R)-3-bimethyl-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide
  参考文献：
  名称：

  WO2007/57909

  摘要：

  公开号：
• 作为产物：
  描述：

  [11C]methyl iodide 、 甲胺 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 0.08h， 生成 [¹¹C]dimethylamine
  参考文献：
  名称：

  The synthesis and biodistribution of [11C]metformin as a PET probe to study hepatobiliary transport mediated by the multi-drug and toxin extrusion transporter 1 (MATE1) in vivo

  摘要：

  In order to develop a new positron emission tomography (PET) probe to study hepatobiliary transport mediated by the multi-drug and toxin extrusion transporter 1 (MATE1), C-11-labelled metformin was synthesized and then evaluated as a PET probe. [C-11] Metformin ([C-11]4) was synthesized in three steps, from [C-11] methyl iodide. Evaluation by small animal PET of [C-11]4 showed that there was increased concentrations of [C-11]4 in the livers of mice pre-treated with pyrimethamine, a potential inhibitor of MATEs, inhibiting the hepatobiliary excretion of metformin. Radiometabolite analysis showed that [C-11]4 was not degraded in vivo during the PET scan. Biodistribution studies were undertaken and the organ distributions were extrapolated into a standard human model. In conclusion, [C-11]4 may be useful as a PET probe to non-invasively study the in vivo function of hepatobiliary transport and drug-drug interactions, mediated by MATE1 in future clinical investigations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.10.041