102872-15-1

Basic information

• Product Name: 2,4,7,8-TETRAMETHYLQUINOLINE
• Synonyms: 2,4,7,8-TETRAMETHYLQUINOLINE
• CAS NO: 102872-15-1
• Molecular Formula: C13H15N
• Molecular Weight: 185.26
• Mol File: 102872-15-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 30-31 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 306.8°Cat760mmHg
• Flash Point: 128.3°C
• Appearance: /
• Density: 1.018g/cm³
• Vapor Pressure: 0.00137mmHg at 25°C
• Refractive Index: 1.591
• PKA: 7.02±0.50(Predicted)
• CAS DataBase Reference: 2,4,7,8-TETRAMETHYLQUINOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,7,8-TETRAMETHYLQUINOLINE(102872-15-1)
• EPA Substance Registry System: 2,4,7,8-TETRAMETHYLQUINOLINE(102872-15-1)

Safety Data

• Hazardous Substances Data: 102872-15-1(Hazardous Substances Data)

Usage

General Description

2,4,7,8-Tetramethylquinoline is a chemical compound with the molecular formula C14H17N. It is a highly stable and non-reactive organic compound that is commonly used as a stabilizer in the production of rubber and plastics. It is also used as an antioxidant in the manufacturing of industrial lubricants and as a chemical intermediate in the synthesis of pharmaceuticals and dyes. 2,4,7,8-Tetramethylquinoline is insoluble in water but soluble in most organic solvents, and it has a yellowish to brownish color. 2,4,7,8-TETRAMETHYLQUINOLINE is considered to have low toxicity and is not classified as a carcinogen or mutagen.

InChI:InChI=1/C13H15N/c1-8-5-6-12-9(2)7-10(3)14-13(12)11(8)4/h5-7H,1-4H3

Upstream product

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Relevant articles and documents

Structure-Activity Relationship for Small Molecule Inhibitors of Nicotinamide N-Methyltransferase

Nicotinamide N-methyltransferase (NNMT) is a fundamental cytosolic biotransforming enzyme that catalyzes the N-methylation of endogenous and exogenous xenobiotics. We have identified small molecule inhibitors of NNMT with >1000-fold range of activity and developed comprehensive structure-Activity relationships (SARs) for NNMT inhibitors. Screening of N-methylated quinolinium, isoquinolinium, pyrididium, and benzimidazolium/benzothiazolium analogues resulted in the identification of quinoliniums as a promising scaffold with very low micromolar (IC50 à 1 μM) NNMT inhibition. Computer-based docking of inhibitors to the NNMT substrate (nicotinamide)-binding site produced a robust correlation between ligand-enzyme interaction docking scores and experimentally calculated IC50 values. Predicted binding orientation of the quinolinium analogues revealed selective binding to the NNMT substrate-binding site residues and essential chemical features driving protein-ligand intermolecular interactions and NNMT inhibition. The development of this new series of small molecule NNMT inhibitors direct the future design of lead drug-like inhibitors to treat several metabolic and chronic disease conditions characterized by abnormal NNMT activity.