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

CAS: 854355-54-7 Cat. No.: W418262 Summenformel: C₁₅H₁₂ClN₃ Molekulargewicht: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.137
• HBD-Zahl: 1
• Rotationsfähige Bindung: 3

Namen und Kennungen

• Pubchem Sid: 504763139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763139
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC=NC(=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl
• PubChem CID: 4791782
• Molekulargewicht: 269.73

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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VDR Tclin Vitamin D receptor (26531 Activities)

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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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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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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Plasmodium falciparum (966862 Activities)

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ht1 Hexose transporter 1 (14071 Activities)

Discover Target: ht1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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