质谱学报2025，Vol.46Issue(2)：187-195,9.DOI:10.7538/zpxb.2024.0113
地平类药物裂解过程中去氢芳构化反应研究
Research of Dehydroaromatization Reactions in the Mass Spectrometric Fragmentation of Dipine Drugs
摘要
Abstract
Dipine drugs,classified as dihydropyridine calcium channel antagonists,are widely utilized in clinical settings as antihypertensive vasodilator calcium antagonist to treat angina pectoris,hypertension,and coronary artery diseases.Commonly used dipine drugs,including felodipine,amlodipine besylate,and nifedipine,can effectively regulate blood pressure levels,increase blood flow to the heart and blood vessels,and thus aid in reducing blood pressure.Additionally,dipine drugs have been used in treatment for Alzheimer's disease and are known to provide protective effect on the liver.Understanding the fragmentation pathways during mass spectrometry ionization is crucial for studying their metabolic pathways.In this study,the fragmentation behaviors of felodipine,amlodipine besylate,and nifedipine were investigated using electrospray ionization-mass spectrometry coupled to collision-induced dissociation(ESI-CID-MS/MS).Through detailed analysis,the fragmentation characteristics of these dipine drugs were elucidated.It was observed that common reactions under the target ion mode include dehydrogenation,proton migration,dehydration,and the loss of branched chain groups.A key finding of this study is the dehydroaromatization process during the fragmentation of dipine drugs.In this process,the fragment ions generated through dehydroaromatization can serve as characteristic diagnostic markers for identifying dipine drugs.Under the high-energy conditions,dipine molecules undergo complex rearrangements,leading to the conversion of saturated carbon-carbon bonds into unsaturated aromatic ring structures.This transformation alters the chemical properties of the drug molecules and represents the primary fragmentation pathway of dipine drugs.Moreover,dehydroaromatization offers valuable insights into the in vivo metabolic conversion of these drugs,which may occur under the influence of drug-metabolizing enzymes.This conversion can potentially affect both the efficacy and safety of dipine drugs,highlighting the importance of understanding this process for therapeutic use.This study not only provides a method for identifying fragment ions but also establishes a theoretical framework for comprehending the fragmentation pathways of dipine drugs.关键词
地平类药物/去氢芳构化/电喷雾-碰撞诱导解离串联质谱(ESI-CID-MS/MS)/裂解途径Key words
dipine drugs/dehydroaromatization/electrospray ionization-mass spectrometry coupled to collision-induced dissociation(ESI-CID-MS/MS)/fragmentation pathway分类
化学化工引用本文复制引用
王晓云,袁艳春,段敏敏,丁健桦,张小平..地平类药物裂解过程中去氢芳构化反应研究[J].质谱学报,2025,46(2):187-195,9.基金项目
国家自然科学基金(22164002) （22164002）
江西省自然科学青年基金(20232BAB213047) （20232BAB213047）
东华理工大学实践教学项目(DHSY-202315) （DHSY-202315）
江西省大学生创新创业训练计划项目(202310405004X) （202310405004X）
