GRADE & PURITY ≥97%

Synonyms

1-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid | 8-Methoxy Ciprofloxacin | 8-Methoxy-cipro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3-Desmethyl Gatifloxacin (8-Methoxy Ciprofloxacin) induces DNA cleavage mediated by wild-type gyrase and Quinolone-resistant mutants. 3-Desmethyl Gatifloxacin can be used for research of drug resistance.

Specifications

Synonyms

1-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(piperazin-1-yl)-1, 4-dihydroquinoline-3-carboxylic acid | 8-Methoxy Ciprofloxacin | 8-Methoxy-cipro

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)O
• IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
• InChIKey: XJCSNIFKGXSDGN-UHFFFAOYSA-N
• INCHI: 1S/C18H20FN3O4/c1-26-17-14-11(8-13(19)15(17)21-6-4-20-5-7-21)16(23)12(18(24)25)9-22(14)10-2-3-10/h8-10,20H,2-7H2,1H3,(H,24,25)
• Isomeric SMILES: COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)O
• Molecular Weight: 361.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: N-arylpiperazines Fluoroquinolones Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Anisoles Dialkylarylamines Alkyl aryl ethers Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Organofluorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Piperazine - Benzenoid - 1,4-diazinane - Aryl halide - Pyridine - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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(non-human)

gyrB DNA gyrase subunit B (290 Activities)

Discover Target: gyrB

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Streptococcus pneumoniae (31063 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Providencia rettgeri (925 Activities)

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Bacteroides fragilis (1445 Activities)

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Peptoniphilus asaccharolyticus (368 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Clostridioides difficile (2968 Activities)

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Clostridium perfringens (1165 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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Cutibacterium acnes (887 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Vero (26788 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 361.400 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 361.144 Da
• Monoisotopic Mass: 361.144 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 618.000
• 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: 1