Delafloxacin Meglumine - 10mM in DMSO , Topoisomerase IV inhibitor, CAS No.352458-37-8, Topoisomerase IV inhibitor

CAS: 352458-37-8 Cat. No.: D423575 Molecular Weight: 635.97 EC Number: 107-332-6 PubChem CID: 11578213

GRADE & PURITY 10mM in DMSO

Synonyms

EX-A3992 | Delafloxacin (meglumine) | UNII-N7V53U4U4T | WQ-3034 meglumine | NSC 55654 | SCHEMBL300983 | (+/-)-1-(3-fluorophenyl)-ethylamine | BS-16614 | C25H29ClF3N5O9 | s4488 | A874684 | RX-3341 meglumine | SY008724 | Delafloxacin meglumine | DELAFLOXACI

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Delafloxacin Meglumine Delafloxacin (ABT-492, RX-3341, WQ-3034, Baxdela) meglumine is a broad-spectrum fluoroquinolone antibiotic against multiple pathogens.

Specifications

Synonyms

EX-A3992 | Delafloxacin (meglumine) | UNII-N7V53U4U4T | WQ-3034 meglumine | NSC 55654 | SCHEMBL300983 | (+/-)-1-(3-fluorophenyl)-ethylamine | BS-16614 | C25H29ClF3N5O9 | s4488 | A874684 | RX-3341 meglumine | SY008724 | Delafloxacin meglumine | DELAFLOXACI

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Delafloxacin (ABT-492, RX-3341, WQ-3034, Baxdela) meglumine is a broad-spectrum fluoroquinolone antibiotic against multiple pathogens.

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.

Action Type

INHIBITOR

Mechanism of action

Topoisomerase IV inhibitor

Product Properties

• ALogP: -2.821
• HBD Count: 8
• Rotatable Bond: 9

Names and Identifiers

• Canonical Smiles: CNCC(C(C(C(CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
• IUPAC Name: 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
• InChIKey: AHJGUEMIZPMAMR-WZTVWXICSA-N
• INCHI: 1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• Isomeric SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
• PubChem CID: 11578213
• Molecular Weight: 635.97

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 Hexoses Chloroquinolines Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Polyhalopyridines Aminopyridines and derivatives Benzenoids Aryl chlorides Imidolactams Aryl fluorides Vinylogous amides 1,3-aminoalcohols Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azetidines Amino acids Polyols Azacyclic compounds Dialkylamines Carboxylic acids Organic oxides Organochlorides Hydrocarbon derivatives Primary alcohols Primary amines Organofluorides
• Molecular Framework: Not available
• Substituents: Quinoline-3-carboxylic acid - Hexose monosaccharide - Fluoroquinolone - Dihydroquinolone - Haloquinoline - Aminoquinoline - Chloroquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Monosaccharide - Aryl halide - Aryl fluoride - Pyridine - Imidolactam - Aryl chloride - Benzenoid - Heteroaromatic compound - 1,3-aminoalcohol - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary alcohol - Azetidine - 1,2-aminoalcohol - Tertiary amine - Azacycle - Secondary amine - Polyol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic oxide - Amine - Alcohol - Primary alcohol - Primary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen 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: 100
• DMSO(mM) Max Solubility: 157.240121389374
• Water(mg / mL) Max Solubility: 100
• Water(mM) Max Solubility: 157.240121389374
• Molecular Weight: 636.000 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 635.161 Da
• Monoisotopic Mass: 635.161 Da
• Topological Polar Surface Area: 233.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 889.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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