N-Desethyl amodiaquine dihydrochloride - ≥99% , CAS No.79049-30-2

CAS: 79049-30-2 Cat. No.: N648543 Peso molecular: 400.73 Número EC: 642-211-6 PubChem CID: 45358918

GRADE & PURITY ≥99%

Synonyms

AS-78689 | HY-128554A | 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol dihydrochloride | 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride | N-desethyl Amodiaquine HCl | 4-[(7-Chloroquinolin-4-yl)amino]-2-[(ethylam

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

N-Desethyl amodiaquine dihydrochloride is the biologically active metabolite of Amodiaquine . N-Desethyl amodiaquine dihydrochloride is an antiparasitic agent, has inhibitory for strains V1/S and 3D7 with IC 50 values of 97 nM and 25 nM, respectively. N-Desethyl amodiaquine dihydrochloride can be used for the research of malaria.

In Vitro

N-Desethyl amodiaquine dihydrochloride has inhibitory for strains V1/S and 3D7 with IC 50 values of 97 nM and 25 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

AS-78689 | HY-128554A | 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol dihydrochloride | 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride | N-desethyl Amodiaquine HCl | 4-[(7-Chloroquinolin-4-yl)amino]-2-[(ethylam

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

N-Desethyl amodiaquine dihydrochloride is the biologically active metabolite of Amodiaquine ( HY-B1322A ). N-Desethyl amodiaquine dihydrochloride is an antiparasitic agent, has inhibitory for strains V1/S and 3D7 with IC 50 values of 97 nM and 25 nM, resp

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
• IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride
• InChIKey: BCYBRFGUODDEGH-UHFFFAOYSA-N
• INCHI: 1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H
• Isómeros SMILES: CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
• PubChem CID: 45358918
• Peso molecular: 400.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines p-Aminophenols Phenylmethylamines Aniline and substituted anilines Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyridines and derivatives Aralkylamines Primary aromatic amines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organooxygen compounds Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminophenol - P-aminophenol - Phenylmethylamine - Aniline or substituted anilines - Benzylamine - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyridine - Primary aromatic amine - Aryl chloride - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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: H2O : 100 mg/mL (249.54 mM; Need ultrasonic) DMSO : 62.5 mg/mL (155.97 mM; Need ultrasonic)
• Peso molecular: 400.700 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 399.067 Da
• Monoisotopic Mass: 399.067 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 370.000
• 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: 3

XLogP3