Amopyroquine , CAS No.550-81-2

CAS: 550-81-2 Cat. No.: A330764 Formule: C₂₀H₂₀ClN₃O Poids moléculaire: 353.85

Synonyms

4-((7-Chloro-4-quinolyl)amino)-alpha-1-pyrrolidinyl-o-crésol | 4-(7-Chlor-4-chinolylamino)-2-(1-pyrrolidinylméthyl)phénol | o-crésol, 4-((7-chloro-4-quinolyl)amino)-alpha-1-pyrrolidinyl- | 4-[(7-Chloro-4-quinolinyl)amino]-2-(1-pyrrolidinylméthyl)phénol |

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

L'amopyroquine est un agent antipaludique. Ce composé a montré une activité antipaludique similaire à celle de la chloroquine.

Specifications

Synonymes

4-((7-Chloro-4-quinolyl)amino)-alpha-1-pyrrolidinyl-o-crésol | 4-(7-Chlor-4-chinolylamino)-2-(1-pyrrolidinylméthyl)phénol | o-crésol, 4-((7-chloro-4-quinolyl)amino)-alpha-1-pyrrolidinyl- | 4-[(7-Chloro-4-quinolinyl)amino]-2-(1-pyrrolidinylméthyl)phénol |

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Noms et identifiants

• Sourires canoniques: C1CCN(C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
• IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol
• InChIKey: YNWCUCSDUMVJKR-UHFFFAOYSA-N
• INCHI: 1S/C20H20ClN3O/c21-15-3-5-17-18(7-8-22-19(17)12-15)23-16-4-6-20(25)14(11-16)13-24-9-1-2-10-24/h3-8,11-12,25H,1-2,9-10,13H2,(H,22,23)
• Isomères SMILES: C1CCN(C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O
• Poids moléculaire: 353.85
• Reaxy-Rn: 493983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=493983&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 p-Aminophenols Phenylmethylamines Aniline and substituted anilines Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyridines and derivatives Aralkylamines N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminophenol - P-aminophenol - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Phenol - Aralkylamine - Pyridine - Aryl chloride - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Aryl halide - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

Cibles associées (humaines)

HPSE Tchem Heparanase (634 Activities)

Discover Target: HPSE

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 197-200° C
• Poids moléculaire: 353.800 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 353.129 Da
• Monoisotopic Mass: 353.129 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 431.000
• 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

Foire aux questions

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 550-81-2, the molecular formula is C20H20ClN3O, and the molecular weight is 353.85 g/mol. InChIKey YNWCUCSDUMVJKR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.