8-氟-5-((2-氟-18F)乙基)-5,6-二氢-6-氧代-4H-咪唑并(1,5-a)(1,4)苯并二氮杂卓-3-羧酸乙酯 | 143693-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 8-氟-5-((2-氟-18F)乙基)-5,6-二氢-6-氧代-4H-咪唑并(1,5-a)(1,4)苯并二氮杂卓-3-羧酸乙酯
• 英文名称: 5-(2'-(¹⁸F)Fluoroethyl)flumazenil
• 英文别名: 5-(2'-(18F)Fluoroethyl)flumazenil；ethyl 5-(2-(18F)fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
• CAS: 143693-57-6
• 化学式: C₁₆H₁₅F₂N₃O₃
• 分子量: 334.312
• InChiKey: NRBIGDVWCXXFLI-SJPDSGJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-氟-5,6-二氢-6-氧代-4H-咪唑并[1,5-a][1,4]苯并二氮杂卓-3-羧酸乙酯 、 [(18)F]-2-fluoroethyltosylate 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 0.17h， 生成 8-氟-5-((2-氟-18F)乙基)-5,6-二氢-6-氧代-4H-咪唑并(1,5-a)(1,4)苯并二氮杂卓-3-羧酸乙酯
  参考文献：
  名称：

  Hamkens; Piel; Schirrmacher, Journal of labelled compounds and radiopharmaceuticals, 1999, vol. 42, # SUPPL. 1, p. S510-S512

  摘要：

  DOI：

文献信息

• [18F] LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS
  申请人：Woodcraft John

  公开号：US20120189547A1

  公开（公告）日：2012-07-26

  The present invention provides radiofluorinated compounds useful for in vivo imaging GABA A receptors. Also provided by the present invention is a method of synthesis for the radiofluorinated compounds of the invention, in particular an automated method of synthesis. A further aspect of the invention is a cassette suitable for carrying out the automated method of synthesis of the invention.

  本发明提供了用于体内成像GABAA受体的放射性氟化合物。本发明还提供了一种用于制备本发明的放射性氟化合物的合成方法，特别是一种自动化的合成方法。本发明的另一个方面是一种适用于执行本发明自动化合成方法的盒式装置。
• Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents
  申请人：Gangadharmath Umesh

  公开号：US20130005956A1

  公开（公告）日：2013-01-03

  A method for synthesizing an 18 F-labeled probe. The method includes a step of eluting an amount of 18 F with a first solvent which includes a predetermined amount of water and at least one organic solvent. In this step, the 18 F elutes as an 18 F solution. The method also includes a step of using the 18 F solution to perform 18 F-labeling in the presence of at least one labeling reagent and at least one phase transfer catalyst so as to generate the 18 F-labeled probe. In the method, there is no step of drying the 18 F starting from a time when the eluting step is performed and ending at a time when the 18 F-labeling step is performed.
• Hamkens; Piel; Schirrmacher, Journal of labelled compounds and radiopharmaceuticals, 1999, vol. 42, # SUPPL. 1, p. S510-S512
  作者：Hamkens、Piel、Schirrmacher、Schmitt、Kleinz、Luddens、Grunder、Rosch

  DOI：——

  日期：——