WM-8014 - ≥99% , CAS No.2055397-18-5

CAS: 2055397-18-5 Cat. No.: W413571 Fórmula: C₂₀H₁₇FN₂O₃S Peso molecular: 384.42 PubChem CID: 133053564

CALIDAD & PUREZA ≥99%

Synonyms

[1,​1'-​Biphenyl]​-​3-​carboxylic acid,4-​fluoro-​5-​methyl-​,2-​(phenylsulfonyl)​hydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

WM-8014 WM-8014 is a highly potent inhibitor of histone acetyltransferase KAT6A with an IC50 of 8 nM.

Targets

KAT6A (Cell-free assay) 8 nM

In vitro

WM-8014 induces cell cycle arrest in embryonic day (E)14.5 mouse embryonic fibroblasts.Cells treated with WM-8014 failed to proliferate after ten days of treatment (IC50 2.4 μM). Higher doses of WM-8014 (up to 40 μM) did not accelerate growth arrest, which after eight days of treatment was irreversible.

In vivo

WM-8014 potentiates oncogene-induced senescence in a zebrafish model of hepatocellular carcinoma.

Especificaciones

Sinónimos

[1,​1'-​Biphenyl]​-​3-​carboxylic acid,4-​fluoro-​5-​methyl-​,2-​(phenylsulfonyl)​hydrazide

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

WM-8014 is a highly potent inhibitor of histone acetyltransferase KAT6A with an IC50 of 8 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504773136

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773136

Sonrisas canónicas

CC1=CC(=CC(=C1F)C(=O)NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide

InChIKey

PHHZKBMVRPULAW-UHFFFAOYSA-N

INCHI

1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)

Isómeros SMILES

CC1=CC(=CC(=C1F)C(=O)NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

PubChem CID

133053564

Peso molecular

384.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzenesulfonamides 2-halobenzoic acids and derivatives m-Toluamides Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Sulfonohydrazides Hydrazinosulfonyl compounds Aryl fluorides Vinylogous halides Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - M-toluamide - Toluamide - Benzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Fluorobenzene - Hydrazinosulfonyl compound - Sulfonohydrazide - Aryl halide - Aryl fluoride - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Objetivos asociados (humanos)

KAT6B Tchem Histone acetyltransferase KAT6B (2 Activities)

Discover Target: KAT6B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KAT6A Tchem Histone acetyltransferase KAT6A (4 Activities)

Discover Target: KAT6A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KAT6A Tchem Histone acetyltransferase KAT6A (320 Activities)

Discover Target: KAT6A

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 77 mg/mL (200.3 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecular: 384.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 384.094 Da
• Monoisotopic Mass: 384.094 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 595.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 2055397-18-5, the molecular formula is C20H17FN2O3S, and the molecular weight is 384.42 g/mol. InChIKey PHHZKBMVRPULAW-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.