GSK-5498A - ≥98% , CAS No.1253186-49-0

CAS: 1253186-49-0 Cat. No.: G649231 Formula: C₁₈H₁₁F₆N₃O Peso molecolare: 399.29 PubChem CID: 46945384

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

GSK-5498A is a selective CARC channel inhibitor ( IC 50 : 1 μM). GSK-5498A inhibits mediators release from mast cells and pro-inflammatory cytokines release from T cells. GSK-5498A can be used in the research of inflammatory disorders

In Vitro

GSK-5498A (1 and 10 μM) inhibits calcium influx through CRAC channels in human embryonic kidney cells. GSK-5498A (1 nM-10 μM) inhibits the thapsigargin-evoked fluorescence signal (pIC 50 : 6.3) in Jurkat cells, measured using the calcium sensitive dye: Fluo4-AM. GSK-5498A (1 nM-10 μM) evokes concentration-dependent inhibition of Cytostim-evoked interferon-γ and IL-5 production in PBMCs. GSK-5498A (1 μM-10 μM) inhibits degranulation of rat tissue-resident mast cells. GSK-5498A (10 nM-10 μM) inhibits mouse and rat T-cell cytokine (IL-2) release. GSK-5498A (0-10 μM) shows high selectivity for CRAC channels over other ion channels, enzymes and G-protein coupled receptors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CRAC channel

Specifications

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

GSK-5498A is a selective CARC channel inhibitor ( IC 50 : 1 μM). GSK-5498A inhibits mediators release from mast cells and pro-inflammatory cytokines release from T cells. GSK-5498A can be used in the research of inflammatory disorders.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C(=C1)F)CN2C=CC(=N2)NC(=O)C3=C(C=CC=C3F)F)C(F)(F)F
• IUPAC Name: 2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
• InChIKey: AUBGZAJDHUHMAE-UHFFFAOYSA-N
• INCHI: 1S/C18H11F6N3O/c19-12-4-1-3-11(18(22,23)24)10(12)9-27-8-7-15(26-27)25-17(28)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,25,26,28)
• Isomeri SMILES: C1=CC(=C(C(=C1)F)CN2C=CC(=N2)NC(=O)C3=C(C=CC=C3F)F)C(F)(F)F
• PubChem CID: 46945384
• Termini MeSH: 2,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide;GSK-5498A
• Peso molecolare: 399.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Imidolactams Vinylogous halides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : ≥ 100 mg/mL (250.44 mM)
• Peso molecolare: 399.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 399.081 Da
• Monoisotopic Mass: 399.081 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 538.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 1253186-49-0, the molecular formula is C18H11F6N3O, and the molecular weight is 399.29 g/mol. InChIKey AUBGZAJDHUHMAE-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.