title: Structure determination of a sildenafil analogue contained in commercial herb drinks.
abstract: It was found from HPLC analysis that a commercial herb drink contains a putative sildenafil analog. In order to identify the sildenafil-like compound, separation and purification were carried out. The structure determination was performed based on routine 1D and 2D NMR experiments. Unlike sildenafil, the compound contains an ethylpiperazine instead of a methylpiperazine group. In addition, the piperazine and phenyl groups are connected through an acetyl group instead of the sulfonyl group of sildenafil.
authors.affiliation: Bio/Molecular Informatics Center, Konkuk University, Hwayang-Dong 1, Kwangjin-Ku, Seoul 143-701, Korea.
authors.forename: Choonshik
authors.initials: C
authors.lastname: Shin
authors.forename: Mooki
authors.initials: M
authors.lastname: Hong
authors.forename: Daibyung
authors.initials: D
authors.lastname: Kim
authors.forename: Yoongho
authors.initials: Y
authors.lastname: Lim
mesh_terms: D001628:Beverages / Q000032:analysis; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D010879:Piperazines / Q000737:chemistry*; D010946:Plants, Medicinal / Q000737:chemistry*; D011687:Purines; D000068677:Sildenafil Citrate; D013329:Structure-Activity Relationship; D013450:Sulfones
chemical_list: D010879:Piperazines; D011687:Purines; D013450:Sulfones; D000068677:Sildenafil Citrate