Didesethyl Chloroquine - Moligand™, ≥98% , CAS No.4298-14-0

CAS: 4298-14-0 Cat. No.: D330775 Fórmula: C₁₄H₁₈ClN₃ Peso molecular: 263.77

GRADE & PURITY Moligand™, ≥98%

Synonyms

FT-0666690 | M48JF33RF8 | UNII-M48JF33RF8 | NSC816556 | Bisdeethylchloroquine | N,N-Dideethylchloroquine | 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)- | AKOS017547688 | BS-15120 | Didesethyl Chloroquine | SCHEMBL6659403 | CQMM | Bi-(deethyl)chloroquin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Didesethyl chloroquine (Bisdesethylchloroquine) is a major metabolite of the antimalarial agent Chloroquine. Didesethyl chloroquine is a potent myocardial depressant.

Specifications

Sinónimos

FT-0666690 | M48JF33RF8 | UNII-M48JF33RF8 | NSC816556 | Bisdeethylchloroquine | N,N-Dideethylchloroquine | 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)- | AKOS017547688 | BS-15120 | Didesethyl Chloroquine | SCHEMBL6659403 | CQMM | Bi-(deethyl)chloroquin

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528769600
• Sorrisos canónicos: CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl
• IUPAC Name: 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
• InChIKey: GYEDIFVVTRKXHP-UHFFFAOYSA-N
• INCHI: 1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)
• SMILES isoméricas: CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl
• Peso molecular: 263.77
• Reaxy-Rn: 14186
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14186&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines Secondary alkylarylamines Aminopyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Secondary amine - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform and Methanol
• Ponto de fusão (°C): 135-137° C
• Peso molecular: 263.760 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 263.119 Da
• Monoisotopic Mass: 263.119 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1