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

Description

2-(ethoxycarbonyl)-4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolinium, commonly referred to as EPCPQ, is a synthetic benzoquinolinium compound characterized by its complex molecular structure. It features a pyridine and phenyl ring, which contribute to its unique chemical properties. As a research reagent, EPCPQ is utilized in various chemical and pharmaceutical studies due to its potential pharmacological activities, including antiproliferative and anti-inflammatory effects. Furthermore, its fluorescent properties make it a promising candidate for monitoring cellular processes, highlighting its versatility in scientific and medical applications.

Uses

Used in Pharmaceutical Research:
EPCPQ is used as a research reagent for its potential pharmacological activities, such as antiproliferative and anti-inflammatory properties. Its unique molecular structure allows it to interact with biological targets, making it a valuable tool in the development of new therapeutic agents.
Used in Chemical Studies:
In the field of chemistry, EPCPQ serves as a research reagent for studying its chemical properties and potential reactions with other compounds. Its complex structure and functional groups provide insights into the behavior of similar benzoquinolinium compounds.
Used in Fluorescent Probe Development:
EPCPQ is used as a fluorescent probe for monitoring cellular processes due to its inherent fluorescent properties. Its ability to emit light upon excitation allows researchers to track and visualize specific biological events, such as protein-protein interactions or cellular signaling pathways.
Used in Drug Discovery:
EPCPQ is employed in drug discovery efforts as a potential lead compound for the development of new pharmaceuticals. Its pharmacological activities and unique structure make it a promising candidate for further optimization and modification to enhance its therapeutic potential.
Used in Material Science:
In material science, EPCPQ may be utilized for the development of novel materials with specific properties, such as fluorescence or chemical reactivity. Its unique molecular structure and potential interactions with other compounds make it a valuable component in the design of advanced materials for various applications.

Upstream product

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

Downstream Products

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

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.