Difloxacin hydrochloride - 10mM in DMSO , CAS No.91296-86-5

CAS: 91296-86-5 Cat. No.: D426888 Molecular Weight: 435.85 EC Number: 688-928-8 PubChem CID: 56205

GRADE & PURITY 10mM in DMSO

Synonyms

Difluoxacin hydrochloride | ABBOTT-56619 | NSC 759646 | Pharmakon1600-01502359 | XJ0260HJ0O | 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, hydrochloride (1:1); 3-Quinolinecarboxylic acid, 6-fluoro-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Difluoxacin hydrochloride | ABBOTT-56619 | NSC 759646 | Pharmakon1600-01502359 | XJ0260HJ0O | 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1, 4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, hydrochloride (1:1); 3-Quinolinecarboxylic acid, 6-fluoro-

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Difloxacin inhibits bacterial DNA gyrase and the topoisomerase II enzyme, which inhibits DNA replication and transcription Fluoroquinolone antibacterial compound. Structurally related to norfloxacin. Pefloxacin is a synthetic fluoroquinolone that func

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
• IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
• InChIKey: JFMGBGLSDVIOHL-UHFFFAOYSA-N
• INCHI: 1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
• Isomeric SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
• WGK Germany: 3
• PubChem CID: 56205
• Molecular Weight: 435.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Quinoline carboxylic acids Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Fluorobenzenes N-methylpiperazines Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Halobenzene - Fluorobenzene - Benzenoid - 1,4-diazinane - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Piperazine - Aryl halide - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Acinetobacter sp. (243 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 435.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 435.116 Da
• Monoisotopic Mass: 435.116 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 672.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Ye Jiang, Xiaochan Wang, Guo Zhao, Yinyan Shi, Yao Wu.  (2023)  In-situ SERS detection of quinolone antibiotic residues in aquaculture water by multifunctional Fe3O4@mTiO2@Ag nanoparticles.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:37385202] [10.1016/j.saa.2023.123056]

2. Weie Wang, Qinqin Sang, Ming Yang, Juan Du, Libin Yang, Xin Jiang, Xiaoxia Han, Bing Zhao.  (2019)  Detection of several quinolone antibiotic residues in water based on Ag-TiO2 SERS strategy.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:31710852] [10.1016/j.scitotenv.2019.134956]

3. Guowen Qin, Huilin Song, Dan Wu, Yuqi Zhang, Peiqi Li, Kaidi Zhang, Yang Zheng, Shunli Ji.  (2024)  Design of a novel green bio-based organic–inorganic hybrid material for cost-effective and sustainable monitoring of antibiotic residues.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC04219G]

4. Furong Tang, Ting Zou, Ziyi Wang, Juan Zhang.  (2024)  Fabrication of fluorinated triazine-based covalent organic frameworks for selective extraction of fluoroquinolone in milk.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38889582] [10.1016/j.chroma.2024.465078]

5. Yanjia Guo, Juan Lu, Wenzhuo Wang, Hanyue Jiang, Guangping Ma, Pengfei Han, Li Tian.  (2025)  Molecularly imprinted polymer electrochemiluminescence sensor based on biomass carbon quantum dots from cantaloupe peel for ultrasensitive and specific detection of methylene blue.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108363]