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[基于Q-TOF-MS鉴定一种新型西地那非类似物]

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

作者信息

Sun Jian, Yu Hong, Hu Qing, Feng Rui, Zhang Su, Ji Shen

出版信息

Yao Xue Xue Bao. 2014 Apr;49(4):513-6.

Abstract

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.

摘要

草药产品和膳食补充剂中掺假的西地那非等药物可能危害人体健康。最近新的修饰衍生物数量在增加。基于四极杆飞行时间质谱(Q-TOF-MS),发现了一种新的西地那非类似物。通过制备液相色谱对其进行分离和纯化。通过核磁共振(NMR)确定其结构为1-[4-丙氧基-3-(6,7-二氢-1-甲基-7-氧代-3-丙基-1H-吡唑并[4,3-d]嘧啶-5-基)苯基磺酰基]-4-甲基哌嗪。与西地那非相比,苯环部分的乙氧基移至丙氧基,这在中国尚未见报道。总结了该结构类型的质谱行为模式,这可大大加速新型类似物的结构分析。

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