Delafloxacin Meglumine - ≥99% , Topoisomerase IV inhibitor, CAS No.352458-37-8, Topoisomerase IV inhibitor

CAS: 352458-37-8 Cat. No.: D413133 Peso molecular: 635.97 Número EC: 107-332-6 PubChem CID: 11578213

GRADE & PURITY ≥99%

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 -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Topoisomerase IV inhibitor

Pureza

≥99%

Propiedades del producto

• ALogP: -2.821
• Recuento HBD: 8
• Enlace rotable: 9

Nombres e identificadores

• Pubchem Sid: 504766561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766561
• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 635.97

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (157.24 mM); Water: 100 mg/mL (157.24 mM); Ethanol: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 157.240121389374
• Agua (mg/ml) Solubilidad máxima: 100
• Agua (mM) Solubilidad máxima: 157.240121389374
• Peso molecular: 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