117685-48-0

Basic information

• Product Name: 6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
• Synonyms: OTAVA-BB BB7018670072;6-FLUORO-4-QUINOLONE-3-CARBOXYLIC ACID;6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID;6-FLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID;6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID;ASISCHEM D48883;1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid;3-Carboxy-1,4-dihydro-6-fluoro-4-oxoquinoline
• CAS NO: 117685-48-0
• Molecular Formula: C10H6FNO3
• Molecular Weight: 207.16
• Mol File: 117685-48-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 298-300°C
• Boiling Point: 362.7 °C at 760 mmHg
• Flash Point: 173.2 °C
• Appearance: /
• Density: 1.517
• Vapor Pressure: 6.77E-06mmHg at 25°C
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Aqueous Base (Slightly, Sonicated), DMSO (Slightly, Heated, Sonicated)
• PKA: 0.30±0.20(Predicted)
• CAS DataBase Reference: 6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID(117685-48-0)
• EPA Substance Registry System: 6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID(117685-48-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 117685-48-0(Hazardous Substances Data)

Usage

General Description

6-Fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is a chemical compound that belongs to the class of quinolone carboxylic acids. It is commonly used as a synthetic intermediate for the production of various pharmaceutical drugs, including antibacterial agents. 6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID possesses a quinoline ring structure with a fluorine atom at the 6- position and a carboxylic acid group at the 3- position. The presence of the oxo group at the 4- position imparts reactivity and functionality to the molecule, making it a valuable building block for the synthesis of diverse organic compounds. This chemical compound has potential applications in medicinal and pharmaceutical chemistry for the development of new drug candidates.

InChI:InChI=1/C10H6FNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)/p-1

Upstream product

• 251986-57-9 4,5-dimethoxycarbonyl-1-(4'-fluorophenyl)-1H-pyrrole-2,3-dione 
• 251986-69-3 6-fluoro-4-oxo-1,4-dihydro-quinoline-2,3-dicarboxylic acid 3-methyl ester 
• 251986-63-7 dimethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2,3-dicarboxylate 
• 251986-49-9 methyl 3-carbomethoxy-3-(4'-fluorophenyl)amino-2-propenoate 
• 71083-00-6 ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 144216-13-7 6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid methyl ester 
• 371-40-4 4-fluoroaniline 
• 26832-96-2 diethyl 2-(4-fluoroanilino)methylenemalonate 

Downstream Products

• 873051-19-5 N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide 

Relevant articles and documents

Polysubstituted quinolone compounds, and preparation method and use thereof

The invention provides polysubstituted quinolone compounds, and a preparation method and a use thereof, and concretely provides a polysubstituted quinolone compound represented by formula I, and optical isomers, pharmaceutically acceptable salts or solvates thereof. All groups in the formula I are defined in the description. The quinolone compound has excellent c-Met inhibition activity, and can be used for treating c-Met activity or expression level corrected diseases.

Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2

Due to the emerging role of protein kinase CK2 as a molecule that participates not only in the development of some cancers but also in viral infections and inflammatory failures, small organic inhibitors of CK2, besides application in scientific research, may have therapeutic significance. In this paper, we present a new class of CK2 inhibitors-3-carboxy-4(1H)-quinolones. This class of inhibitors has been selected via receptor-based virtual screening of the Otava compound library. It was revealed that the most active compounds, 5,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (7) (IC 50 = 0.3 μM) and 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid (9) (IC50 = 1 μM), are ATP competitive (Ki values are 0.06 and 0.28 μM, respectively). Evaluation of the inhibitors on seven protein kinases shows considerable selectivity toward CK2. According to theoretical calculations and experimental data, a structural model describing the key features of 3-carboxy-4(1H)-quinolones responsible for tight binding to CK2 active site has been developed.