17697-92-6

Basic information

• Product Name: 4,5,6-TRIMETHYL-PYRIMIDINE-2-THIOL
• Synonyms: 2-Pyrimidinethiol,4,5,6-trimethyl- (8CI); 2-Mercapto-4,6,6-trimethylpyrimidine;4,5,6-Trimethyl-2-pyrimidinethiol
• CAS NO: 17697-92-6
• Molecular Formula: C7H10N2S
• Molecular Weight: 0
• Mol File: 17697-92-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 226.2°Cat760mmHg
• Flash Point: 90.6°C
• Appearance: /
• Density: 1.16g/cm³
• Vapor Pressure: 0.0827mmHg at 25°C
• Refractive Index: 1.599
• CAS DataBase Reference: 4,5,6-TRIMETHYL-PYRIMIDINE-2-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5,6-TRIMETHYL-PYRIMIDINE-2-THIOL(17697-92-6)
• EPA Substance Registry System: 4,5,6-TRIMETHYL-PYRIMIDINE-2-THIOL(17697-92-6)

Safety Data

• Hazardous Substances Data: 17697-92-6(Hazardous Substances Data)

Usage

General Description

4,5,6-Trimethyl-pyrimidine-2-thiol is a chemical compound with the molecular formula C8H10N2S. It is a sulphur-containing heterocyclic compound with a pyrimidine ring structure. This chemical is commonly used in organic and pharmaceutical synthesis, specifically as a building block for the production of various pharmaceuticals and agrochemicals. It is also used as a precursor for the synthesis of thiamine (Vitamin B1) and other pharmaceuticals. Additionally, 4,5,6-trimethyl-pyrimidine-2-thiol is known for its potent and distinctive odor, making it a valuable additive in fragrance and flavor applications. Due to its versatility and importance in various industries, this chemical compound is widely studied and researched for its potential uses and applications.

InChI:InChI=1/C7H10N2S/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10)

Upstream product

• 17356-08-0 thiourea 
• 815-57-6 3-Methyl-2,4-pentanedione 
• 15750-73-9 [Al(3-phenylpentane-2,4-dionate)3] 
• 1113-62-8 4-amino-3-methylpent-3-en-2-one 
• 85741-87-3 N-benzoyl-N'-(1,2-dimethyl-3-oxo-1-butenyl)thiourea 

Relevant articles and documents

Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study

Sirtuins are NAD+-dependent protein deacylases that cleave off acetyl but also other acyl groups from the ε-amino group of lysines in histones and other substrate proteins. Dysregulation of human Sirt2 (hSirt2) activity has been associated with the pathogenesis of cancer, inflammation, and neurodegeneration, which makes the modulation of hSirt2 activity a promising strategy for pharmaceutical intervention. The sirtuin rearranging ligands (SirReals) have recently been discovered by us as highly potent and isotype-selective hSirt2 inhibitors. Here, we present a well-defined structure-activity relationship study, which rationalizes the unique features of the SirReals and probes the limits of modifications on this scaffold regarding inhibitor potency. Moreover, we present a crystal structure of hSirt2 in complex with an optimized SirReal derivative that exhibits an improved in vitro activity. Lastly, we show cellular hyperacetylation of the hSirt2 targeted tubulin caused by our improved lead structure.

CYCLIZATION KINETICS AND MECHANISM OF N-BENZOYL-N'-(1,2-DIMETHYL-3-OXO-1-BUTENYL)THIOUREA

Cyclization kinetics of N-benzoyl-N'-(1,2-dimethyl-3-oxo-1-butenyl)thiourea have been studied in aqueous and methanolic solutions of acids and bases.In all cases the cyclization product is 4,5,6-trimethyl-2,5-dihydro-2-thioxopyrimidine or its protonated or deprotonated forms.In dilute methanolic and aqueous hydrochloric acid the substrate reacts in its monoprotonated form.The cyclization in basic media is catalyzed by methoxide or hydroxyl ion and also by primary and secondary amines at such pH values were the catalysis by lyate ion is practically insignificant.Tertiary amines and acetate ion do not catalyze the cyclization.