一种新型西地那非衍生物的Q-TOF-MS鉴定

Identification of a new sildenafil analogue based on Q-TOF-MS

非法添加于中成药和保健食品中的西地那非类药物可严重危害健康,新型衍生物层出不穷。基于高分辨四级杆串联飞行时间质谱(Q-TOF-MS)方法,在保健食品中检出一种新型西地那非衍生物。该化合物经制备液相分离纯化,核磁共振确证结构,化学名为1-[4-丙氧基-3-[5-(6,7-二氢-1-甲基-7-氧代-3-丙基-1H-吡唑并[4,3d]嘧啶)]苯磺酰]-4-甲基哌嗪,即西地那非苯环上乙氧基衍生为丙氧基,国内未见报道。总结该结构类型的质谱行为规律,可有效帮助此类衍生物的快速结构鉴定。

The drugs such as sildenafil adulterated in herbal products and dietary supplements may endanger human health. The number of the new modified derivatives is increasing recently. Based on Q-TOF-MS, a new sildenafil analogue was found. It was isolated and purified by preparative liquid chromatography. Its structure was determined by NMR, as 1-[4-propoxy-3-（6, 7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4, 3-d] pyrimidin-5-yl）phenylsulfonyl]-4-methylpiperazine. Compared with sildenafil, the ethoxy group of the benzene ring moiety was moved to the propoxy group, which had not been reported in China. The mass spectrometric behavior pattern of the structure type was summarized, which can greatly accelerate the structural analysis of novel analogues.