title: [Identification of a new sildenafil analogue based on Q-TOF-MS].
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.
authors: Jian
authors: J
authors: Sun
authors: Hong
authors: H
authors: Yu
authors: Qing
authors: Q
authors: Hu
authors: Rui
authors: R
authors: Feng
authors: Su
authors: S
authors: Zhang
authors: Shen
authors: S
authors: Ji
mesh_terms: D002851:Chromatography, High Pressure Liquid; D019587:Dietary Supplements / Q000032:analysis*; D004340:Drug Contamination; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D010879:Piperazines / Q000737:chemistry / Q000302:isolation & purification*; D000068677:Sildenafil Citrate / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: C000604357:1-(4-propoxy-3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)phenylsulfonyl)-4-methylpiperazine; D010879:Piperazines; D000068677:Sildenafil Citrate