518047-31-9

Basic information

• Product Name: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI)
• Synonyms: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI);Methyl 5,6-dihydroxypyriMidine-4-carboxylate;5,6-Dihydroxy-pyrimidine-4-carboxylic acid methyl ester
• CAS NO: 518047-31-9
• Molecular Formula: C₆H₆N₂O₄
• Molecular Weight: 170.12
• Product Categories: GLYCINESCAFFOLD
• Mol File: 518047-31-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 348.1°C at 760 mmHg
• Flash Point: 164.4°C
• Appearance: /
• Density: 1.537g/cm³
• Vapor Pressure: 2.55E-05mmHg at 25°C
• Refractive Index: 1.602
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI)(518047-31-9)
• EPA Substance Registry System: 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI)(518047-31-9)

Safety Data

• Hazardous Substances Data: 518047-31-9(Hazardous Substances Data)

Usage

General Description

4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-, methyl ester (9CI) is a chemical compound with the molecular formula C8H8N2O4. It is a derivative of pyrimidinecarboxylic acid and is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI) is a methyl ester, which means it contains a methyl group (-CH3) attached to the carboxyl (-COOH) functional group. Its chemical structure makes it suitable for use in various organic synthesis reactions, and it has potential applications in drug discovery and development. Further research and testing are necessary to fully understand the properties and potential uses of this chemical compound in different industries.

InChI:InChI=1/C6H6N2O4/c1-12-6(11)3-4(9)5(10)8-2-7-3/h2,9H,1H3,(H,7,8,10)

Upstream product

• 762-42-5 dimethyl acetylenedicarboxylate 
• 519032-13-4 2-ethoxycarbonyl-4,5-dihydroxy-6-(methoxycarbonyl)pyrimidine 
• 518047-30-8 4,5-dihydroxy-6-(methoxycarbonyl)pyrimidine-2-carboxylic acid 

Relevant articles and documents

Dihydroxypyrimidine-4-carboxamides as novel potent and selective HIV integrase inhibitors

Human immunodeficiency virus type-1 (HIV-1) integrase, one of the three constitutive viral enzymes required for replication, is a rational target for chemotherapeutic intervention in the treatment of AIDS that has also recently been confirmed in the clinical setting. We report here on the design and synthesis of N-benzyl-5,6-dihydroxypyrimidine-4-carboxamides as a class of agents which exhibits potent inhibition of the HIV-integrase-catalyzed strand transfer process. In the current study, structural modifications on these molecules were made in order to examine effects on HIV-integrase inhibitory potencies. One of the most interesting compounds for this series is 2-[1-(dimethylamino)-1-methylethyl]-N-(4-fluorobenzyl)-5,6-dihydroxypyrimidine- 4-carboxamide 38, with a CIC95 of 78 nM in the cell-based assay in the presence of serum proteins. The compound has favorable pharmacokinetic properties in preclinical species (rats, dogs, and monkeys) and shows no liabilities in several counterscreening assays, highlighting its potential as a clinically useful antiviral agent.