1124-75-0

Basic information

• Product Name: 2-methylsulfanylpyrimidine-4-carbonitrile
• Synonyms: 2-methylsulfanylpyrimidine-4-carbonitrile;2-(Methylthio)-4-pyrimidinecarbonitrile;2-(Methylthio)pyriMidine-4-carbonitrile
• CAS NO: 1124-75-0
• Molecular Formula: C6H5N3S
• Molecular Weight: 151.19
• Product Categories: Heterocycle-Pyrimidine series
• Mol File: 1124-75-0.mol

Chemical Properties

• Boiling Point: 311.4°Cat760mmHg
• Flash Point: 142.1°C
• Appearance: /
• Density: 1.3g/cm³
• Vapor Pressure: 0.000566mmHg at 25°C
• Refractive Index: 1.597
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-methylsulfanylpyrimidine-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methylsulfanylpyrimidine-4-carbonitrile(1124-75-0)
• EPA Substance Registry System: 2-methylsulfanylpyrimidine-4-carbonitrile(1124-75-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 1124-75-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2-Methylsulfanylpyrimidine-4-carbonitrile serves as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs. Its unique molecular structure allows it to participate in a range of chemical reactions, making it a valuable component in medicinal chemistry.
Used in Agrochemical Production:
2-methylsulfanylpyrimidine-4-carbonitrile is also utilized as an intermediate in the synthesis of agrochemicals, playing a role in the creation of new pesticides. Its properties are harnessed to enhance the effectiveness of these products in agricultural applications.
Used in Organic Chemistry Research:
2-Methylsulfanylpyrimidine-4-carbonitrile is employed in organic chemistry research to explore its reactivity and potential uses in the synthesis of other complex organic molecules, broadening the scope of chemical knowledge and innovation.
Used in Specialty Chemicals Production:
Due to its distinctive molecular structure and properties, 2-methylsulfanylpyrimidine-4-carbonitrile finds application in the production of specialty chemicals, where its unique characteristics can be leveraged for specific industrial processes or products.

InChI:InChI=1/C6H5N3S/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,1H3

Upstream product

• 13435-20-6 tetraethylammoniumcyanide 
• 6622-64-6 Trimethyl-4-(2-methylthiopyrimidinyl)ammoniumchlorid 
• 75833-38-4 2-chloro-pyrimidine-4-carbonitrile 
• 5188-07-8 sodium thiomethoxide 
• 1122-74-3 4-iodo-2-(methylthio)pyrimidine 
• 544-92-3 copper(I) cyanide 
• 49844-90-8 4-Chloro-2-methylthiopyrimidine 

Relevant articles and documents

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.

NOVEL INHIBITORS OF RHO-KINASES

Novel inhibitors of Rho-kinases are disclosed.

1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF

This invention provides a compound represented by the formula (I) :wherein R1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents;R2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents;n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I) , which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

Synthesis of Cyano-Substituted Heterocycles by Means of Tetraethylammonium Cyanide

Chloropyrimidines 2, 3 and Chlorquinazolines 9, 10, after conversion into trimethylammonio derivatives 4, 5, 11, 12, react with tetraethylammonium cyanide 1a under very mild conditions to give pyrimidine carbonitriles 6, 7 and quinazoline carbonitriles 13, 14.Direct synthesis of quinoxaline carbonitriles 19 is possible by reaction of chloroquinoxalines 15, 18 with 1a.