WAY-321582-A - ≥98% , CAS No.34116-16-0

CAS: 34116-16-0 Cat. No.: W418076 Summenformel: C₁₃H₁₁N₃O Molekulargewicht: 225.25 PubChem CID: 659830

GRADE & PURITY ≥98%

Synonyms

N-(Furan-2-ylmethyl)quinazolin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

autophagy inducer; autophagy inhibitors (modulator?); casein kinase 2 inhibitor; fungicides, insecticides, and miticides;

Specifications

Synonyme

N-(Furan-2-ylmethyl)quinazolin-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

2.501

HBD-Zahl

1

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

488191010

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191010

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=NC=N2)NCC3=CC=CO3

IUPAC Name

N-(furan-2-ylmethyl)quinazolin-4-amine

InChIKey

DUNCYLVJORGPHP-UHFFFAOYSA-N

INCHI

1S/C13H11N3O/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,15,16)

Isomere SMILES

C1=CC=C2C(=C1)C(=NC=N2)NCC3=CC=CO3

PubChem CID

659830

Molekulargewicht

225.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Furan - Heteroaromatic compound - Oxacycle - Secondary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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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HepG2 (196354 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 225.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 225.09 Da
• Monoisotopic Mass: 225.09 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 249.000
• 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