新型甾体季铵盐化合物的合成、光谱和半经验研究。
Synthesis, spectroscopic and semiempirical studies of new quaternary alkylammonium conjugates of sterols.
机构信息
Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland.
出版信息
Molecules. 2013 Dec 5;18(12):14961-76. doi: 10.3390/molecules181214961.
New quaternary alkylammonium conjugates of steroids were obtained by two step reaction of sterols (ergosterol, cholesterol, dihydrocholesterol) with bromoacetic acid bromide, followed by bimolecular nucleophilic substitution with a long chain tertiary alkylamine. The structures of products were confirmed by spectral (1H-NMR, 13C-NMR, and FT-IR) analysis, mass spectrometry and PM5 semiempirical methods. The pharmacotherapeutic potential of synthesized compounds has been estimated on the basis of Prediction of Activity Spectra for Substances (PASS).
新型季铵盐甾体化合物是通过甾醇（麦角甾醇、胆固醇、二氢胆固醇）与溴乙酸溴反应，再与长链叔胺双分子亲核取代两步反应得到的。通过光谱（1H-NMR、13C-NMR 和 FT-IR）分析、质谱和 PM5 半经验方法确认了产物的结构。根据预测的物质活性谱（PASS）估计了合成化合物的治疗潜力。
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