Cas no 93969-13-2 (Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate)
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
- HDGNABAQEHQIFQ-UHFFFAOYSA-N
- VS-02289
- CS-0298968
- ethyl6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
- EN300-302949
- SCHEMBL5258333
- DTXSID20408206
- ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylate
- 93969-13-2
- AKOS005174881
- 6,7,8-trifluoro-1-(2-fluoro-ethyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
- MFCD00185753
- ETHYL 1,4-DIHYDRO-1-(2-FLUOROETHYL)-4-OXO-6,7,8-TRIFLUORO-3-QUINOLINECARBOXYLATE
- ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
- SB72499
- STK711126
- 6,7,8-Trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
- BBL010030
- 3-quinolinecarboxylic acid, 6,7,8-trifluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-, ethyl ester
- ALBB-015440
-
- MDL: MFCD00185753
- Inchi: 1S/C14H11F4NO3/c1-2-22-14(21)8-6-19(4-3-15)12-7(13(8)20)5-9(16)10(17)11(12)18/h5-6H,2-4H2,1H3
- InChI Key: HDGNABAQEHQIFQ-UHFFFAOYSA-N
- SMILES: FC1=C(C(=CC2C(C(C(=O)OCC)=CN(CCF)C=21)=O)F)F
Computed Properties
- Exact Mass: 317.06750586g/mol
- Monoisotopic Mass: 317.06750586g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 485
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 409.6±45.0 °C at 760 mmHg
- Flash Point: 201.5±28.7 °C
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM223201-1g |
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95% | 1g |
$302 | 2021-08-04 | |
| Chemenu | CM223201-5g |
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95% | 5g |
$853 | 2021-08-04 | |
| Chemenu | CM223201-1g |
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95% | 1g |
$359 | 2024-07-19 | |
| Enamine | EN300-302949-0.05g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 0.05g |
$197.0 | 2025-03-19 | |
| Enamine | EN300-302949-0.1g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 0.1g |
$293.0 | 2025-03-19 | |
| Enamine | EN300-302949-0.25g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 0.25g |
$418.0 | 2025-03-19 | |
| Enamine | EN300-302949-0.5g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 0.5g |
$656.0 | 2025-03-19 | |
| Enamine | EN300-302949-1.0g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 1.0g |
$842.0 | 2025-03-19 | |
| Enamine | EN300-302949-2.5g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 2.5g |
$1650.0 | 2025-03-19 | |
| Enamine | EN300-302949-5.0g |
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
93969-13-2 | 95.0% | 5.0g |
$2443.0 | 2025-03-19 |
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Additional information on Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Recent Advances in the Study of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS: 93969-13-2)
The compound Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS: 93969-13-2) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique fluorinated quinoline scaffold, has shown promising potential in various therapeutic applications, particularly as a precursor or intermediate in the synthesis of novel antimicrobial and anticancer agents. Recent studies have focused on elucidating its mechanism of action, optimizing its synthetic pathways, and exploring its biological activities.
One of the key areas of research has been the compound's role as a potential inhibitor of bacterial DNA gyrase and topoisomerase IV, enzymes critical for bacterial DNA replication. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibited potent activity against a range of Gram-positive and Gram-negative pathogens, including methicillin-resistant Staphylococcus aureus (MRSA) and Escherichia coli. The study highlighted the importance of the trifluoro and fluoroethyl substitutions in enhancing binding affinity and metabolic stability.
In addition to its antimicrobial properties, recent investigations have explored the anticancer potential of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate. A preprint article available on bioRxiv reported that this compound, when modified with specific side chains, showed selective cytotoxicity against several cancer cell lines, including breast and lung cancer cells. The mechanism appears to involve the inhibition of protein kinases involved in cell proliferation and survival pathways. These findings suggest that further optimization could yield clinically relevant candidates.
The synthetic accessibility of this compound has also been a focus of recent research. A 2024 paper in Organic Process Research & Development detailed a scalable, high-yield synthesis route that minimizes the use of hazardous reagents and reduces environmental impact. This advancement is particularly significant for industrial-scale production, addressing one of the key challenges in transitioning from laboratory-scale synthesis to commercial manufacturing.
Despite these promising developments, challenges remain in the clinical translation of compounds derived from this scaffold. Issues such as bioavailability, potential toxicity, and resistance development need to be addressed through comprehensive structure-activity relationship (SAR) studies and preclinical evaluations. Ongoing research is investigating various prodrug strategies and formulation approaches to overcome these limitations.
Looking ahead, the versatility of the Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate scaffold suggests it may serve as a valuable template for the development of new therapeutic agents across multiple disease areas. Future research directions likely include the exploration of its applications in antiviral therapies and neurodegenerative diseases, as well as continued optimization of its pharmacological properties. The compound's unique structural features and demonstrated biological activities position it as an important focus of medicinal chemistry research in the coming years.
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