959236-97-6

Basic information

• Product Name: 2-METHYLTHIO-4-BROMOPYRIMIDINE
• Synonyms: 4-broMo-2-(Methylsulfanyl)pyriMidine;4-BroMo-2-(Methylthio)pyriMidine, 95+%;2-METHYLTHIO-4-BROMOPYRIMIDINE;4-Bromo-2-(methylthio)pyrimidine;Pyrimidine, 4-bromo-2-(methylthio)-
• CAS NO: 959236-97-6
• Molecular Formula: C5H5BrN2S
• Molecular Weight: 205.08
• Product Categories: Heterocycle-Pyrimidine series
• Mol File: 959236-97-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 30-40℃
• Boiling Point: 281℃
• Flash Point: 124℃
• Appearance: Pale yellow to brown/Low Melting Solid
• Density: 1.72
• Vapor Pressure: 0.00615mmHg at 25°C
• Refractive Index: 1.636
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• PKA: -0.76±0.20(Predicted)
• CAS DataBase Reference: 2-METHYLTHIO-4-BROMOPYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLTHIO-4-BROMOPYRIMIDINE(959236-97-6)
• EPA Substance Registry System: 2-METHYLTHIO-4-BROMOPYRIMIDINE(959236-97-6)

Safety Data

• RIDADR: UN1759
• HazardClass: 8
• Hazardous Substances Data: 959236-97-6(Hazardous Substances Data)

Usage

General Description

2-Methylthio-4-bromopyrimidine is a chemical compound with the molecular formula C5H5BrN2S. It is a pyrimidine derivative, which is a heterocyclic aromatic compound consisting of a six-membered ring containing four carbon atoms, one nitrogen atom, and one sulfur atom. 2-METHYLTHIO-4-BROMOPYRIMIDINE is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also known for its potential application as a building block in organic synthesis. 2-Methylthio-4-bromopyrimidine is a highly reactive compound and should be handled with care in a laboratory setting.

InChI:InChI=1/C5H5BrN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

Upstream product

• 5751-20-2 2-Methylthiouracil 
• 49844-90-8 4-Chloro-2-methylthiopyrimidine 

Downstream Products

• 1208538-52-6 4-bromo-2-(methylsulfonyl)pyrimidine 
• 1453854-80-2 1-(2-(tert-butyldimethylsilyloxy)-1-(4-chloro-3-fluorophenyl)ethyl)-4-(2-(methylsulfonyl)pyrimidin-4-yl)pyridin-2(1H)-one 

Relevant articles and documents

INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING

The present application is directed to compounds of Formula I: compounds comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

Structure–Activity Relationships of 2-Sufonylpyrimidines as Quorum-Sensing Inhibitors to Tackle Biofilm Formation and eDNA Release of Pseudomonas aeruginosa

Drug-resistant Pseudomonas aeruginosa (PA) strains are on the rise, making treatment with current antibiotics ineffective. Hence, circumventing resistance or restoring the activity of antibiotics by novel approaches is of high demand. Targeting the Pseudomonas quinolone signal quorum sensing (PQS-QS) system is an intriguing strategy to abolish PA pathogenicity without affecting the viability of the pathogen. Herein we report the structure–activity relationships of 2-sulfonylpyrimidines, which were previously identified as dual-target inhibitors of the PQS receptor PqsR and the PQS synthase PqsD. The SAR elucidation was guided by a combined approach using ligand efficiency and ligand lipophilicity efficiency to select the most promising compounds. In addition, the most effective inhibitors were rationally modified by the guidance of QSAR using Hansch analyses. Finally, these inhibitors showed the capacity to decrease biofilm mass and extracellular DNA, which are important determinants for antibiotic resistance.