127958-10-5

Basic information

• Product Name: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
• Synonyms: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID;2-methyl-4-phenyl-5-pyrimidinecarboxylic acid(SALTDATA: FREE);2-Methyl-4-phenylpyriMidin-5-carboxylic acid;5-Carboxy-2-methyl-4-phenylpyrimidine, 5-Carboxy-2-methyl-4-phenyl-1,3-diazine;CC 20101;SDCCGMLS-0066023.P001;5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-
• CAS NO: 127958-10-5
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• Mol File: 127958-10-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 216-217
• Boiling Point: 375.2°Cat760mmHg
• Flash Point: 180.7°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 2.69E-06mmHg at 25°C
• Refractive Index: 1.608
• PKA: 2.17±0.10(Predicted)
• CAS DataBase Reference: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(127958-10-5)
• EPA Substance Registry System: 2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID(127958-10-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 127958-10-5(Hazardous Substances Data)

Usage

General Description

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid is a chemical compound with a molecular formula C13H11N3O2. It is a pyrimidine derivative with a carboxylic acid functional group. This chemical is used as a starting material in the synthesis of pharmaceuticals and agrochemicals due to its potential to act as a building block in organic synthesis. It has also been studied for its potential biological activities, including anticancer and antimicrobial properties. Additionally, it has been reported to exhibit inhibitory effects on several enzymes, making it a potential candidate for drug discovery and development.

InChI:InChI=1/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)

Upstream product

• 127957-93-1 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester 
• 66129-60-0 ethyl-3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enoate 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 

Downstream Products

• 21203-79-2 2-methyl-6-phenylpyrimidine 
• 1253959-18-0 2-methyl-5-[(2-methyl-1-pyrrolidinyl)carbonyl]-4-phenylpyrimidine 

Relevant articles and documents

Optimisation of pharmacokinetic properties in a neutral series of 11β-HSD1 inhibitors

11β-HSD1 is increasingly seen as an attractive target for the treatment of type II diabetes and other elements of the metabolic syndrome. In this program of work we describe how a series of neutral 2-thioalkyl-pyridine 11β-HSD1 inhibitors were optimized in terms of their pharmacokinetic properties to give compounds with excellent bioavailability in both rat and dog through a core change to pyrimidine. A potential reactive metabolite issue with 4-thioalkyl-pyrimidines was circumvented by a switch from sulfur to carbon substitution.

SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281

A compound of formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11betaHSD1, processes for making them and pharmaceutical compositions comprising them are also described.