4667-76-9

Basic information

• Product Name: 2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium
• CAS NO: 4667-76-9
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 407.4832
• Mol File: 4667-76-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium(4667-76-9)
• EPA Substance Registry System: 2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium(4667-76-9)

Safety Data

• Hazardous Substances Data: 4667-76-9(Hazardous Substances Data)

Usage

General Description

The chemical compound 2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium, also known as EPCPQ, is a synthetic compound with a complex molecular structure. It belongs to the class of benzoquinolinium compounds and contains a pyridine and phenyl ring. EPCPQ is often used as a research reagent in chemical and pharmaceutical studies. It has been found to exhibit potential pharmacological activities, such as antiproliferative and anti-inflammatory properties. Additionally, it has been studied for its potential use as a fluorescent probe for monitoring cellular processes. Overall, EPCPQ is a versatile compound with potential applications in various fields of science and medicine.

Upstream product

• 110-89-4 piperidine 
• 136918-14-4 phthalimide 
• 50-00-0 formaldehyd 
• 64-17-5 ethanol 
• 5332-26-3 N-(bromomethyl)phtalimide 

Downstream Products

• 110-89-4 piperidine 
• 50-00-0 formaldehyd 
• 7664-41-7 ammonia 
• 88-99-3 benzene-1,2-dicarboxylic acid 

Relevant articles and documents

Synthesis, spectra, electronic structure, molecular docking and cytotoxicity investigation on 2-(piperidin-1-ylmethyl)-isoindoline-1,3-dione – A Mannich base system

A Mannich base molecule of 2-(piperidin-1-ylmethyl)isoindoline-1,3-dione (PPF) has been synthesized using Mannich base condensation reaction. The molecular geometry of PPF molecule was optimized by B3LYP/6-311G(d,p) basis set. The vibrational frequencies have been assigned with the aid of normal coordinate analysis. Total energy distributions (TED) were used to explain each vibrational wavenumber assignments of a molecule. The 1H and 13C NMR spectroscopic analyses were predicted by using gauge independent atomic orbital (GIAO) method. The thermal stability was determined by applying the thermo gravimetric/differential scanning calorimetry (TG/DSC) studies. The HOMO-LUMO energies, population density of states (PDOS), overlap population density of states (OPDOS), reduced density gradient (RDG), Mulliken atomic charges and molecular electrostatic potential (MEP) surface were plotted to investigate the van der Waals, attraction, repulsion, non-covalent and covalent interactions of the compound. The natural bond orbital (NBO) charge analysis was used in explaining the intermolecular charge transfer and resonance stabilization energy of molecule. Besides, the molecular docking studies have been performed. The cytotoxic activity of the PPF molecule has been resolved.

Synthesis and structure elucidation of 2,3,5,6,7,8-hexahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1-thione, 3,3-disubstituted and 2-substituted derivatives and evaluation of their inhibitory activity against inducible nitric oxide synthase

The 3-monosubstituted 2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thiones 3 (R1, R3 =H) were recently reported to possess inhibitory activity against inducible nitric oxide synthase in a cell based assay (Schulz et al. 2013). The 3,3-disubstituted 2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thiones 3 and 4 (R2 ,R3 ≠ H) were synthesized by cyclocondensation of the hexahydropyridazine-1-carbothioamides 1 with ketones. In order to access the 3,3-unsubstituted 2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thiones, the unsubstituted parent system of these compounds, several synthetic routes were studied. By these methods the desired heterocyclic system 2a as well as new a-anellated and N-substutited hexahydropyridazines were obtained. The biological evaluation of the title compounds confirmed the previously made finding that an aromatic moiety in position 3 of the substance is important for an inducible nitric oxide synthase (iNOS) inhibitory activity.