Ozenoxacina - Moligand™, ≥98% , DNA topoisomerase IV inhibitor, CAS No.245765-41-7, DNA topoisomerase IV inhibitor

CAS: 245765-41-7 Cat. No.: O303182 Peso molecular: 363.41

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-cyclopropyl-8-methyl-7-(5-methyl-6-(methylamino)pyridin-3-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | FT-0701296 | 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile | 3-Quinolinecarboxylic acid, 1-cyclopropy

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

1-cyclopropyl-8-methyl-7-(5-methyl-6-(methylamino)pyridin-3-yl)-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | FT-0701296 | 2-phenyl-2-[(2R, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile | 3-Quinolinecarboxylic acid, 1-cyclopropy

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

DNA topoisomerase IV inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 4.1

Nombres e identificadores

• Pubchem Sid: 488196374
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196374
• Sonrisas canónicas: CC1=CC(=CN=C1NC)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C
• IUPAC Name: 1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxoquinoline-3-carboxylic acid
• InChIKey: XPIJWUTXQAGSLK-UHFFFAOYSA-N
• INCHI: 1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)
• Isómeros SMILES: CC1=CC(=CN=C1NC)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C
• Peso molecular: 363.41
• Reaxy-Rn: 11322165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322165&ln=

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: Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Methylpyridines Aminopyridines and derivatives Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminopyridine - Methylpyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

• Peso molecular: 363.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 363.158 Da
• Monoisotopic Mass: 363.158 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 645.000
• 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