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Synthesis and identification of hydroxylated metabolites of the anti-estrogenic agent cyclofenil

机译:抗雌激素药环苯腈的羟基化代谢产物的合成与鉴定

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摘要

The detection of metabolites of the anti-estrogenic substance cyclofenil, listed on the World Anti-Doping Agency (WADA) Prohibited List since 2004 is described. Target substances are hydroxylated metabolites, bearing an aliphatic hydroxyl group either in the 2-,3- or 4-position of the aliphatic ring, in addition to the phenolic functions on the aromatic rings. Structural identification used NMR as well as high-resolution mass spectrometry after nano-electrospray ionisation (ESI). Unambiguous detection of all three synthesised cyclofenil metabolites M1-M3 was done using gas chromatography for separation and electron ionisation mass spectrometry for detection of the per-silylated compounds in comparison with a reference urine deriving from an excretion study within the WADA 2007 Educational Programme.
机译:描述了自2004年以来列入世界反兴奋剂机构(WADA)禁用清单的抗雌激素物质环苯腈代谢产物的检测方法。目标物质是羟基化的代谢物,除了在芳族环上的酚官能团外,还在脂族环的2-,3-或4-位带有脂族羟基。纳米电喷雾电离(ESI)后,使用NMR以及高分辨率质谱进行结构鉴定。与从WADA 2007教育计划中的排泄研究得出的参考尿相比,使用气相色谱分离和电子离子质谱法对所有三种合成的环芬尼代谢产物M1-M3进行了明确检测。

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