2244614-14-8

Basic information

• Product Name: 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
• CAS NO: 2244614-14-8
• Molecular Weight: 453.56
• Mol File: 2244614-14-8.mol

Chemical Properties

• Boiling Point: 649.8±65.0 °C(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine(2244614-14-8)
• EPA Substance Registry System: 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine(2244614-14-8)

Safety Data

• Hazardous Substances Data: 2244614-14-8(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure consisting of a quinolin-2-yl group, a piperidin-4-amine group, and a tetrahydro-2H-pyran-4-yl group.

Fluoro substituent

The presence of a fluoro substituent (F) at the 8th position of the quinolin-2-yl group may influence the compound's reactivity, stability, and lipophilicity.

Ethyl group

An ethyl group (C2H5) is attached to the 6th position of the quinolin-2-yl group, which may affect the compound's steric properties and solubility.

3-Methyl-1,2,4-oxadiazol-5-yl substituent

The presence of a 3-methyl-1,2,4-oxadiazol-5-yl group at the 3rd position of the quinolin-2-yl group may contribute to the compound's stability and potential biological activity.

Tetrahydro-2H-pyran-4-yl group

The tetrahydro-2H-pyran-4-yl group is attached to the piperidin-4-amine group, which may influence the compound's conformational flexibility and hydrogen bonding capabilities.

Potential pharmacological applications

Due to its structural features, the compound may have potential applications in the field of pharmacology, such as acting as a drug candidate or a molecular probe.

Potential biological applications

The compound's structural features may also suggest potential biological applications, such as targeting specific receptors or enzymes in biological systems.

Further research needed

To fully understand the properties and potential uses of this compound, additional research and analysis are necessary, including studies on its chemical reactivity, stability, solubility, and biological activity.

Structural complexity

The compound's complex structure may pose challenges in terms of synthesis, purification, and characterization, requiring advanced techniques and expertise in organic chemistry and medicinal chemistry.

Potential for optimization

The compound's structure may be further modified or optimized to improve its pharmacological or biological properties, such as increasing its potency, selectivity, or bioavailability.

Upstream product

• 874784-14-2 2-amino-5-bromo-3-fluorobenzoic acid 
• 821791-69-9 4-ethyl-2-fluoroaniline 
• 825-22-9 3-fluoroanthranilic acid 
• 38041-19-9 4-aminotetrahydropyran 
• 55151-91-2 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid 

Relevant articles and documents

Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140)

κ opioid receptor (KOR) antagonists are potential pharmacotherapies for the treatment of migraine and stress-related mood disorders including depression, anxiety, and drug abuse, thus the development of novel KOR antagonists with an improved potency/selec

KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO

Compounds are provided that antagonize the kappa-opioid receptor (KOR) and products containing such compounds, as well as to methods of their use and synthesis. Such compounds have the structure of Formula (I), or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope or salt thereof: (I) wherein X, Y, R1, R2, R4, R5 R6, R7, R8 and R11 are as defined herein.