WAY-332065 - ≥95% , CAS No.958937-93-4

CAS: 958937-93-4 Cat. No.: W417435 Summenformel: C₂₁H₂₂N₂O₃S Molekulargewicht: 382.48 PubChem CID: 5309840

GRADE & PURITY ≥95%

Synonyms

Acetamide | 2-[[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]sulfinyl]-N-(phenylmethyl)-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

beta-catenin modulator; altering the lifespan of a eukaryotic organism;

Specifications

Synonyme

Acetamide | 2-[[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]sulfinyl]-N-(phenylmethyl)-

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,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: 2.579
• HBD-Zahl: 1
• Rotationsfähige Bindung: 7

Namen und Kennungen

• Pubchem Sid: 504763531
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763531
• Kanonisches Lächeln: CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3
• IUPAC Name: N-benzyl-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
• InChIKey: BCLKRTYNEDFGBE-UHFFFAOYSA-N
• INCHI: 1S/C21H22N2O3S/c1-15-8-6-7-11-18(15)21-23-19(16(2)26-21)13-27(25)14-20(24)22-12-17-9-4-3-5-10-17/h3-11H,12-14H2,1-2H3,(H,22,24)
• Isomere SMILES: CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3
• PubChem CID: 5309840
• Molekulargewicht: 382.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: 2,4,5-trisubstituted oxazoles Toluenes Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,4,5-trisubstituted 1,3-oxazole - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• DMSO (mM) Maximale Löslichkeit: 10

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 958937-93-4, the molecular formula is C21H22N2O3S, and the molecular weight is 382.48 g/mol. InChIKey BCLKRTYNEDFGBE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.