32092-27-6

Basic information

• Product Name: 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
• Synonyms: 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid;6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE);4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6-methyl-4-oxo-;4-keto-6-methyl-pyrido[1,6-a]pyrimidine-3-carboxylic acid;6-methyl-4-oxo-3-pyrido[1,6-a]pyrimidinecarboxylic acid;6-methyl-4-oxo-pyrido[1,6-a]pyrimidine-3-carboxylic acid;6-methyl-4-oxopyrido[1,6-a]pyrimidine-3-carboxylic acid
• CAS NO: 32092-27-6
• Molecular Formula: C₁₀H₈N₂O₃
• Molecular Weight: 204.19
• Mol File: 32092-27-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 376.2°Cat760mmHg
• Flash Point: 181.3°C
• Appearance: /
• Density: 1.42g/cm³
• Vapor Pressure: 1.07E-06mmHg at 25°C
• Refractive Index: 1.661
• PKA: -0.69±0.40(Predicted)
• CAS DataBase Reference: 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid(32092-27-6)
• EPA Substance Registry System: 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid(32092-27-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 32092-27-6(Hazardous Substances Data)

Usage

General Description

6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid is a chemical compound with a complex structure. It belongs to the class of pyrido[1,2-a]pyrimidine carboxylic acids and contains a methyl group, a carbonyl group, and a carboxylic acid group. 6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid has potential biological and pharmacological activities due to its structure and functional groups. It may be involved in various biochemical processes and has the potential to be used in pharmaceutical research and drug development. The detailed study of this compound's properties and activities could contribute to further understanding its potential applications in the field of medicine and biochemistry.

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 
• 125055-74-5 N-adamantyl-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 
• 125055-65-4 N-phenyl-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 
• 125055-61-0 N-cyclopropyl-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 

Relevant articles and documents

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.