32092-27-6

Usage

Uses

Used in Pharmaceutical Research:
6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid is used as a research compound for exploring its potential biological activities and pharmacological properties. Its unique structure and functional groups make it a candidate for further study in the development of new drugs and therapeutic agents.
Used in Drug Development:
In the pharmaceutical industry, 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid is utilized as a starting material or intermediate in the synthesis of various drug candidates. Its potential involvement in biochemical processes suggests that it could be a key component in the creation of novel therapeutics targeting specific diseases or conditions.
Used in Biochemical Studies:
6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid serves as a subject of biochemical research to understand its role in cellular processes and its interactions with other biomolecules. This knowledge can contribute to the advancement of medicine by providing insights into the mechanisms of action of potential drugs.

InChI:InChI=1/C10H8N2O3/c1-6-3-2-4-8-11-5-7(10(14)15)9(13)12(6)8/h2-5H,1H3,(H,14,15)

Upstream product

• 16867-53-1 3-Ethoxycarbonyl-6-methyl-4-oxo-4H-pyrido<1,2-a>pyrimidine 
• 1824-81-3 2-Amino-6-methylpyridine 
• 25063-58-5 isopropylidene (6-methyl-2-pyridyl)methylenemalonate 

Downstream Products

• 125055-55-2 N-pentyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 
• 125055-75-6 6-methyl-4-oxo-3-pyrrolidinocarbonyl-4H-pyrido[1,2-a]pyrimidine 
• 125055-74-5 N-adamantyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 
• 125055-66-5 N-(4-fluorophenyl)-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 
• 125055-65-4 N-phenyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 
• 125055-59-6 N-octyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 
• 125055-61-0 N-cyclopropyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide 

Relevant academic research and scientific papers

Synthesis and inverse virtual screening of new bi-cyclic structures towards cancer-relevant cellular targets

We report here synthetic approaches to access new classes of small molecules based on three heterocyclic scaffolds, i.e. 3,7-dihydropyrimido[4,5-d]pyridazine-4,8-dione, 1,8-naphthyridin-4(1H)-one and 4H-pyrido[1,2-a]pyrimidin-4-one. The bi-cyclic structure 3,7-dihydropyrimido[4,5-d]pyridazine-4,8-dione is a new heterocycle, described here for the first time. In silico methodologies of inverse virtual screening have been used to preliminary analyse the molecules, in order to explore their potential as hits for chemical biology investigations. Our computational study has been conducted with 43 synthetically accessible small molecules towards 31 cellular proteins involved in cancer pathogenesis. Binding energies were quantified using molecular docking calculations, allowing to define the relative affinities of the ligands for the cellular targets. Through this methodology, 16 proteins displayed effective interactions with distinct small molecules within the matrix. In addition, 23 ligands have demonstrated high affinity for at least one cellular protein, using as reference the co-crystallised ligand in the X-ray structure. The evaluation of ADME and drug score for selected hits also highlights that these new molecular series can serve as sources of lead candidates for further structure optimisation and biological studies.