WAY-638741 - ≥95% , CAS No.796085-51-3

CAS: 796085-51-3 Cat. No.: W417787 Summenformel: C₂₃H₂₀N₄OS Molekulargewicht: 400.5 PubChem CID: 2459459

GRADE & PURITY ≥95%

Synonyms

Phenyl(4-(2-(thiophen-2-yl)quinazolin-4-yl)piperazin-1-yl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Glucocerebrosidase Inhibitor

Specifications

Synonyme

Phenyl(4-(2-(thiophen-2-yl)quinazolin-4-yl)piperazin-1-yl)methanone

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Produkteigenschaften

ALogP

4.544

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

504760750

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760750

Kanonisches Lächeln

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)C5=CC=CC=C5

IUPAC Name

phenyl-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone

InChIKey

VQSGAWDLIJIEQL-UHFFFAOYSA-N

INCHI

1S/C23H20N4OS/c28-23(17-7-2-1-3-8-17)27-14-12-26(13-15-27)22-18-9-4-5-10-19(18)24-21(25-22)20-11-6-16-29-20/h1-11,16H,12-15H2

Isomere SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)C5=CC=CC=C5

PubChem CID

2459459

Molekulargewicht

400.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinazolinamines Benzamides Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - Benzamide - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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