Besifloxacin HCl - ≥99% , Bacterial DNA gyrase inhibitor, CAS No.405165-61-9, Bacterial DNA gyrase inhibitor

CAS: 405165-61-9 Cat. No.: B129410 Molecular Weight: 430.3 EC Number: 696-612-6 PubChem CID: 10224595

GRADE & PURITY ≥99%

Synonyms

CCG-221259 | 1398566-43-2 | D08872 | DTXSID30304068 | A848253 | AKOS025401618 | Besifloxacin hydrochloride [USAN] | Besifloxacin hydrochloride (USAN) | 405165-61-9 (HCl) | Besifloxacin (Hydrochloride) | BESIFLOXACIN HYDROCHLORIDE [VANDF] | Besifloxacin hy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Besifloxacin HCl is a fourth-generation fluoroquinolone antibiotic.

Specifications

Synonyms

CCG-221259 | 1398566-43-2 | D08872 | DTXSID30304068 | A848253 | AKOS025401618 | Besifloxacin hydrochloride [USAN] | Besifloxacin hydrochloride (USAN) | 405165-61-9 (HCl) | Besifloxacin (Hydrochloride) | BESIFLOXACIN HYDROCHLORIDE [VANDF] | Besifloxacin hy

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Besifloxacin Hydrochloride is a Fluoroquinolone antibiotic.Broad spectrum fluoroquinolone antibiotic agent. DNA gyrase and topoisomerase IV inhibitor. Penetrates ocular tissue. Shows bactericidal effects in vivo.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Bacterial DNA gyrase inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504765341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765341
• Canonical Smiles: C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• IUPAC Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
• InChIKey: PMQBICKXAAKXAY-HNCPQSOCSA-N
• INCHI: 1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1
• Isomeric SMILES: C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• PubChem CID: 10224595
• Molecular Weight: 430.3

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: Fluoroquinolones Chloroquinolines Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Azepanes Aryl chlorides Benzenoids Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Dihydroquinolone - Aminoquinoline - Haloquinoline - Chloroquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Azepane - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Amine - Organohalogen compound - Primary aliphatic amine - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO <1 mg/mL Water 1 mg/mL Ethanol <1 mg/mL
• Sensitivity: Heat, light sensitive
• Molecular Weight: 430.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 429.102 Da
• Monoisotopic Mass: 429.102 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 656.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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