WAY-641918 - 10mM in DMSO , CAS No.850467-77-5

CAS: 850467-77-5 Cat. No.: W426252 Summenformel: C₂₅H₂₄N₂O₃ Molekulargewicht: 400.46966 PubChem CID: 4883292

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

TAO kinase inhibitors

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Produkteigenschaften

ALogP

4.257

HBD-Zahl

2

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

528768352

Kanonisches Lächeln

C1CC(C2=CC=CC=C2C1)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

IUPAC Name

N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenoxybenzamide

InChIKey

LYJAJWGXMOKLOA-UHFFFAOYSA-N

INCHI

1S/C25H24N2O3/c28-24(27-23-12-6-8-18-7-4-5-11-22(18)23)17-26-25(29)19-13-15-21(16-14-19)30-20-9-2-1-3-10-20/h1-5,7,9-11,13-16,23H,6,8,12,17H2,(H,26,29)(H,27,28)

Isomere SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

PubChem CID

4883292

Molekulargewicht

400.46966

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Diarylethers Tetralins Phenoxy compounds Phenol ethers Benzoyl derivatives Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Diphenylether - Alpha-amino acid amide - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Benzamide - Benzoic acid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Zugehörige Ziele (menschlich)

TAOK1 Tchem Serine/threonine-protein kinase TAO1 (2019 Activities)

Discover Target: TAOK1

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: 400.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 400.179 Da
• Monoisotopic Mass: 400.179 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 567.000
• 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