Cletoquine - ≥98% , CAS No.4298-15-1

CAS: 4298-15-1 Cat. No.: C331962 Molecular Weight: 307.82 EC Number: 960-471-1

GRADE & PURITY ≥98%

Synonyms

Desethylhydroxychloroquine | Cletochina pound>>Desethyl Hydroxy Chloroquine | HY-135810 | GNF-Pf-1952 | 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol | Etazole | 2-(4-(7-chloroquinolin-4-ylamino)pentylamino)ethanol | DESETHYL HYDROXY CHLOROQUINE

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Cletoquine (Desethylhydroxychloroquine) is a major active metabolite of Hydroxychloroquine. Cletoquine is produced in the liver by CYP2D6, CYP3A4, CYP3A5, and CYP2C8 isoenzymes. Cletoquine is also a Chloroquine derivative and has the ability to against the chikungunya virus (CHIKV). Cletoquine has antimalarial effects and has the potential for autoimmune diseases treatment.

Specifications

Synonyms

Desethylhydroxychloroquine | Cletochina pound>>Desethyl Hydroxy Chloroquine | HY-135810 | GNF-Pf-1952 | 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol | Etazole | 2-(4-(7-chloroquinolin-4-ylamino)pentylamino)ethanol | DESETHYL HYDROXY CHLOROQUINE

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl
• IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
• InChIKey: XFICNUNWUREFDP-UHFFFAOYSA-N
• INCHI: 1S/C16H22ClN3O/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20)
• Isomeric SMILES: CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl
• Alternate CAS: 159358-29-9
• Molecular Weight: 307.82
• Reaxy-Rn: 483704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=483704&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides 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 - 1,2-aminoalcohol - Alkanolamine - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 112-115° C
• Molecular Weight: 307.820 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 307.145 Da
• Monoisotopic Mass: 307.145 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 293.000
• 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