WAY-652509 - ≥98% , CAS No.854355-54-7

CAS: 854355-54-7 Cat. No.: W418262 Formule: C₁₅H₁₂ClN₃ Poids moléculaire: 269.73 PubChem CID: 4791782

GRADE & PURITY ≥98%

Synonyms

7-Chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

inhibitors of quinone reductase 2; Casein kinase 1δ inhibitors;

Specifications

Synonymes

7-Chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

ALogP

3.137

Nombre de HBD

1

Liaison rotative

3

Noms et identifiants

Pubchem Sid

504763139

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763139

Sourires canoniques

C1=CC=NC(=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl

IUPAC Name

7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine

InChIKey

XXWZFWUXSRUTRT-UHFFFAOYSA-N

INCHI

1S/C15H12ClN3/c16-11-4-5-13-14(6-8-18-15(13)9-11)19-10-12-3-1-2-7-17-12/h1-9H,10H2,(H,18,19)

Isomères SMILES

C1=CC=NC(=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl

PubChem CID

4791782

Poids moléculaire

269.73

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 2-pyridylmethylamines Secondary alkylarylamines Aralkylamines Aminopyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - 2-pyridylmethylamine - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

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Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

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ht1 Hexose transporter 1 (14071 Activities)

Discover Target: ht1

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 269.730 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.072 Da
• Monoisotopic Mass: 269.072 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 287.000
• 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