Gatifloxacin hydrochloride - 10mM in Water , CAS No.121577-32-0

CAS: 121577-32-0 Cat. No.: G420933 Molecular Weight: 411.86 PubChem CID: 17956339

GRADE & PURITY 10mM in Water

Synonyms

AMY17807 | NCGC00247879-01 | s5964 | 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrochloride | AM-1155 hydrochloride;CG5501 hydrochloride;BMS-206584 hydrochloride;PD135432 hydrochloride | gatifloxacin hyd

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Gatifloxacin (AM-1155, CG5501, BMS-206584, PD135432) hydrochloride is a potent fluoroquinolone antibiotic with broad-spectrum antibacterial activity. Gatifloxacin hydrochloride inhibits bacterial type IItopoisomeraseswith IC50 of 13.8 μg/ml and 0.109 μg/ml for S. aureus topoisomerase IV and E. coli DNA gyrase, respectively.

Targets

S. aureus topoisomerase IV (Cell-free assay); E. coli DNA gyrase (Cell-free assay)

Specifications

Synonyms

AMY17807 | NCGC00247879-01 | s5964 | 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrochloride | AM-1155 hydrochloride;CG5501 hydrochloride;BMS-206584 hydrochloride;PD135432 hydrochloride | gatifloxacin hyd

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Gatifloxacin (AM-1155, CG5501, BMS-206584, PD135432) hydrochloride is a potent fluoroquinolone antibiotic with broad-spectrum antibacterial activity. Gatifloxacin hydrochloride inhibits bacterial type II topoisomerases with IC50 of 13.8 μg/ml and 0.109 μg

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.

Product Properties

• ALogP: -0.527
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Canonical Smiles: CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
• InChIKey: GQYBNVXJQVIRGC-UHFFFAOYSA-N
• INCHI: 1S/C19H22FN3O4.ClH/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26;/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);1H
• Isomeric SMILES: CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• PubChem CID: 17956339
• Molecular Weight: 411.86

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 Dialkylamines Carboxylic acids Azacyclic compounds Hydrochlorides Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - Tertiary aliphatic/aromatic amine - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyridine - Piperazine - Aryl halide - Benzenoid - 1,4-diazinane - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 4
• DMSO(mM) Max Solubility: 9.71203807118924
• Water(mg / mL) Max Solubility: 20
• Water(mM) Max Solubility: 48.5601903559462
• Molecular Weight: 411.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 411.136 Da
• Monoisotopic Mass: 411.136 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 653.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3