8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-(4-methyl-2-quinazolinyl)methyl-1H-purine-2,6-dione丨CAS 853029-57-9

8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-(4-methyl-2-quinazolinyl)methyl-1H-purine-2,6-dione (CAS 853029-57-9) is a complex heterocyclic compound primarily used as a research intermediate in medicinal chemistry and pharmaceutical development. Its applications lie in the synthesis and study of xanthine derivatives, which are often investigated for their potential as adenosine receptor antagonists, phosphodiesterase inhibitors, or modulators of central nervous system activity. This compound's unique substitution pattern, incorporating bromine, butynyl, and quinazolinyl functionalities, makes it valuable for structure–activity relationship (SAR) studies in drug discovery programs targeting cardiovascular, neurological, and inflammatory disorders.

The benefits of this compound stem from its multifunctional heterocyclic structure and pharmacological potential. The purine-2,6-dione core is a privileged scaffold known for biological activity, while the presence of electron-withdrawing and lipophilic substituents provides opportunities for enhancing binding affinity, bioavailability, and metabolic stability. Its design enables researchers to explore new molecular interactions and pathways, supporting the development of novel therapeutic agents. Furthermore, the compound's versatility in chemical modification allows it to serve as a starting point for libraries of derivatives tailored for specific pharmacological targets.