51953-13-0

Basic information

• Product Name: 2-Pyrimidinol (7CI,9CI)
• Synonyms: 2-Pyrimidinol (7CI,9CI)
• CAS NO: 51953-13-0
• Molecular Formula: C4H4N2O
• Molecular Weight: 96.08736
• Product Categories: PYRIMIDINE
• Mol File: 51953-13-0.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 179.58°C (rough estimate)
• Flash Point: 140.8°C
• Appearance: /
• Density: 1.2604 (rough estimate)
• Refractive Index: 1.4610 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 9.05±0.10(Predicted)
• Water Solubility: 312.5g/L(20 oC)
• CAS DataBase Reference: 2-Pyrimidinol (7CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Pyrimidinol (7CI,9CI)(51953-13-0)
• EPA Substance Registry System: 2-Pyrimidinol (7CI,9CI)(51953-13-0)

Safety Data

• Hazardous Substances Data: 51953-13-0(Hazardous Substances Data)

Usage

General Description

2-Pyrimidinol, also known by its chemical identifiers 7CI and 9CI, is an organic compound classified within the pyrimidinones family, which are heterocyclic aromatic compounds. 2-Pyrimidinol, specifically, is known to contain a hydroxy group (-OH) connected to one of the carbon atoms in the six-membered pyrimidine ring. 2-Pyrimidinol (7CI,9CI) offers several potential applications, such as in the design of drugs and pharmaceuticals, given its potentially reactive nature. However, as with any chemical substance, the handling and use of 2-Pyrimidinol require careful consideration of safety measures to prevent any adverse effects on health or the environment.

Upstream product

• 557-01-7 Pyrimidin-2(1H)-one 
• 109-12-6 2-aminopyrimidine 
• 38353-09-2 2-hydroxypyrimidine hydrochloride 
• 64-19-7 acetic acid 
• 1076-43-3 benzene-d6 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 
• 178620-86-5 1-Phenyl-2-(pyrimidine-2-sulfinyl)-ethanone 
• 6710-47-0 1-β-D-deoxyribofuranosyl-1,2-dihydropyrimidin-2-one 
• 102-52-3 malonaldehydebis(dimethylacetal) 
• 57-13-6 urea 

Downstream Products

• 433920-92-4 4-(pyrimidinyloxy)benzenecarbaldehyde 

Relevant articles and documents

Gas Chromatography/Mass Spectrometry Determination of Urea in Plasma and Application to Urea Metabolism Study

The study of urea metabolism in human necessitates sensitive methods, so that very low isotopic enrichments of plasma or urinary urea can be measured.A stable derivative of urea, suitable for the measurements of 15N or 13C enrichments of urea using gas chromatography/mass spectrometry, is described.The trimethylsiloxypyrimidine could be used to measure - and urea enrichments as low as 0.5percent with a coefficient of variation below 5percent.Determination of a lower enrichment of urea required the use of 2-trifluoroacetoxypyrimidine, which had a background of0.4 percent at the (M+2) ion.The coefficient of variation in determining the background was 1.6percent; this means a low enrichment, such as 0.1percent, could be determined with confidence.This technique was applied to the study of urea metabolism in humans and dogs.

Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential treatment of chronic hepatitis C virus infection

The development of interferon-free regimens for the treatment of chronic HCV infection constitutes a preferred option that is expected in the future to provide patients with improved efficacy, better tolerability, and reduced risk for emergence of drug-resistant virus. We have pursued non-nucleoside NS5B polymerase allosteric inhibitors as combination partners with other direct acting antivirals (DAAs) having a complementary mechanism of action. Herein, we describe the discovery of a potent follow-up compound (BI 207524, 27) to the first thumb pocket 1 NS5B inhibitor to demonstrate antiviral activity in genotype 1 HCV infected patients, BILB 1941 (1). Cell-based replicon potency was significantly improved through electronic modulation of the pKa of the carboxylic acid function of the lead molecule. Subsequent ADME-PK optimization lead to 27, a predicted low clearance compound in man. The preclinical profile of inhibitor 27 is discussed, as well as the identification of a genotoxic metabolite that led to the discontinuation of the development of this compound.

VIRAL POLYMERASE INHIBITORS

The present invention relates to compounds represented by formula (I) wherein A, B, D, E, R2, R3, R4, R5, R6, R9, a, b, d and e are as defined herein, their salt or ester and pharmaceutical compositions thereof useful in the treatment of hepatitis C viral (HCV) infection. Said compounds were found to have inhibitory activity against HCV polymerase, especially as inhibitors of HCV NS5B polymerase

Alpha-substituted pyrimidine-thioalkyl and alkylether compounds as inhibitors of viral reverse transcriptase

The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula (I) and pyrimidine-thioalkyl and alkylethers of Formula (IA), namely the compounds of Formula (I) where R 4 is selected from the group consisitng of --H or --NR 15 R 16 where R 15 is --H and R 16 is --H, C 1 -C 6 alkyl, NH 2 or R 15 and R 16 taken together with the --N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R 6 is selected from the group consisting of --H, or halo (preferably --Cl); with the overall proviso that R 4 and R 6 are not both --H. The compounds of Formula (IA) are useful in the treatment of individuals who are HIV positive being inhibitors of viral reverse transcriptase. STR1