39581-63-0

Basic information

• Product Name: 2,4,5,8-TETRAMETHYLQUINOLINE
• Synonyms: 2,4,5,8-TETRAMETHYLQUINOLINE
• CAS NO: 39581-63-0
• Molecular Formula: C13H15N
• Molecular Weight: 185.26
• Mol File: 39581-63-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 306.8°Cat760mmHg
• Flash Point: 128.3°C
• Appearance: /
• Density: 1.018g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.591
• CAS DataBase Reference: 2,4,5,8-TETRAMETHYLQUINOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5,8-TETRAMETHYLQUINOLINE(39581-63-0)
• EPA Substance Registry System: 2,4,5,8-TETRAMETHYLQUINOLINE(39581-63-0)

Safety Data

• Hazardous Substances Data: 39581-63-0(Hazardous Substances Data)

Usage

General Description

2,4,5,8-Tetramethylquinoline is a chemical compound with the molecular formula C14H15N. It is a yellowish-brown crystalline solid that is sparingly soluble in water but soluble in organic solvents. 2,4,5,8-TETRAMETHYLQUINOLINE is commonly used as a stabilizer and antioxidant in the production of rubber, plastics, and polymers. It helps to prevent degradation and maintain the integrity of the materials, thereby extending their lifespan and performance. Additionally, 2,4,5,8-Tetramethylquinoline is also used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is important to handle this chemical with care, as it can cause skin and eye irritation and may be harmful if ingested or inhaled.

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

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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.