a Advanced Analysis Team, Toxicological Evaluation and Research Department, National Institute of Food and Drug Safety Evaluation , Ministry of Food and Drug Safety , Cheongwon-gun, Chungcheongbuk-do , Korea.
Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30(10):1693-700. doi: 10.1080/19440049.2013.823571. Epub 2013 Aug 28.
A propoxyphenyl-linked thiohomosildenafil analogue, one of the sildenafil analogues, was found in an herbal product. It was isolated by semi-preparative high-performance liquid chromatography (HPLC). The structure was established based on a comparison of chromatographic and spectroscopic behaviour with other sildenafil analogues using HPLC with diode array detection, quadrupole time-of-flight mass spectrometry (Q-TOF/MS), and nuclear magnetic resonance (NMR) spectroscopy. The HPLC analysis showed separation from known sildenafil analogues with a similar chromatographic retention time. An M + H ion at m/z 519.22 was detected by mass spectrometry corresponding to an empirical formula of C24H34N6O3S2. The structure was similar to that of thiohomosildenafil, except that the ethoxy group attached to the phenyl ring was substituted for a propoxy group. It was assigned as 5-[2-propoxy-5-(4-ethylpiperazin-4-ylsulfonyl)phenyl]-3-methyl-1-n-propyl-4,5,dihydro-1H-pyrazole[7,1,d]pyrimidin-4-thione and named as propoxyphenyl-thiohomosildenafil because the structure was considerably similar to thiohomosildenafil.
一种与苯丙胺有关的硫代homosildenafil 类似物，属于 sildenafil 类似物之一，在一种草药产品中被发现。它是通过半制备高效液相色谱（HPLC）分离出来的。结构是通过与其他 sildenafil 类似物的色谱和光谱行为进行比较，使用带有二极管阵列检测的 HPLC、四极杆飞行时间质谱（Q-TOF/MS）和核磁共振（NMR）光谱来建立的。HPLC 分析表明，它与具有相似色谱保留时间的已知 sildenafil 类似物分离。质谱检测到质荷比（m/z）为 519.22 的M + H离子，对应于 C24H34N6O3S2 的经验式。结构与硫代 homosildenafil 相似，只是连接在苯环上的乙氧基被丙氧基取代。它被指定为 5-[2-丙氧基-5-（4-乙基哌嗪-4-基磺酰基）苯基]-3-甲基-1-正丙基-4,5,二氢-1H-吡唑[7,1,d]嘧啶-4-硫酮，命名为丙氧基苯基硫代 homosildenafil，因为它的结构与硫代 homosildenafil 非常相似。
