3-(4-trifluoromethylbenzyl)-8-[11C]methoxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(4-trifluoromethylbenzyl)-8-[11C]methoxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
• 英文别名: 8-(111C)methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
• 化学式: C₂₁H₁₈F₃NO₃
• 分子量: 388.363
• InChiKey: APSWOEYPVXOOHK-BJUDXGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [11C]methyl iodide 、 3-(4-trifluoromethylbenzyl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one 在 四丁基氢氧化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.07h， 生成 3-(4-trifluoromethylbenzyl)-8-[11C]methoxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
  参考文献：
  名称：

  De Vos; Santens; Slegers, Journal of labelled compounds and radiopharmaceuticals, 1999, vol. 42, # SUPPL. 1, p. S437-S439

  摘要：

  DOI：

文献信息

• De Vos; Santens; Slegers, Journal of labelled compounds and radiopharmaceuticals, 1999, vol. 42, # SUPPL. 1, p. S437-S439
  作者：De Vos、Santens、Slegers、Dierckx、De Reuck

  DOI：——

  日期：——
• Synthesis of two dopamine D4 receptor ligands:11C labelled chromeno[3,4-c]pyridin-5-ones
  作者：F. De Vos、F. Dumont、P. Santens、G. Slegers、R. A. Dierckx、J. De Reuck

  DOI：10.1002/1099-1344(200009)43:10<989::aid-jlcr384>3.0.co;2-3

  日期：2000.9

  The synthesis of two C-11 labelled chromeno[3,4-c]pyridin-5-ones for the visualisation of the dopamine D4 receptor subtype has been developed. The production entailed an O-methylation of the O-desmethyl precursor with [C-11]iodomethane in the presence of tetrabutylammonium hydroxide. Subsequent purification by RPHPLC and formulation by tracer enrichment on a C18 Sep Pak provided a solution which was suitable for human iv injection. Specific activity of the tracer averaged 37 GBq/mu mol at EOS and the radiochemical yields were 65% (decay-corrected, based [C-11]CH3I). Total activity obtained was 5.6 - 7.4 GBq preparations have been demonstrated to be chemically radiochemically pure by HPLC.