FK 3311 - ≥98%(HPLC) , CAS No.116686-15-8

CAS: 116686-15-8 Cat. No.: F287097 Fórmula: C₁₅H₁₃F₂NO₄S Peso molecular: 341.33

GRAU & PUREZA ≥98%(HPLC)

Synonyms

DTXSID90151474 | EX-A545 | AC-35975 | AKOS024457289 | N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide | FK 3311 | A13332 | Methanesulfonamide, N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]- | COX-2 Inhibitor V, FK3311 - CAS 116686-15-8 | FK3311

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

product description：

A cell-permeable and orally available sulfonanilide that acts as a COX-2-selective non-steroidal anti-inflammatory drug (NSAID). Shown to exhibit 500-fold greater potency in inhibiting the LPS-induced (IC50 = 316 nM in human mononuclear cells) than the non-induced/constitutive (IC50 = 160 µM in human platelets) TxB2 production in vitro and effectively alleviate warm ischemia-reperfusion injury in the canine liver and rat lung in vivo.

Especificações

Sinónimos

DTXSID90151474 | EX-A545 | AC-35975 | AKOS024457289 | N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide | FK 3311 | A13332 | Methanesulfonamide, N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]- | COX-2 Inhibitor V, FK3311 - CAS 116686-15-8 | FK3311

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Cyclooxygenase-2 (COX-2) inhibitor. Inhibits zymosan-induced prostaglandin E2production by rat peritoneal neutrophilsin vitroand adjuvant-induced arthritisin vivo. Anti-inflammatory.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504757541

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757541

Sorrisos canónicos

CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F

IUPAC Name

N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide

InChIKey

DIIYLGZNZGPXRR-UHFFFAOYSA-N

INCHI

1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3

SMILES isoméricas

CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F

Peso molecular

341.33

Reaxy-Rn

5883760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5883760&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Alkyl-phenylketones Diarylethers Sulfanilides Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Organosulfonamides Organic sulfonamides Aryl fluorides Aminosulfonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Alkyl-phenylketone - Diaryl ether - Sulfanilide - Acetophenone - Phenylketone - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Benzoyl - Fluorobenzene - Halobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Ether - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 34.13, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.07, Max Conc. mM: 50
• Sensibilidade: light sensitive
• Peso molecular: 341.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 341.053 Da
• Monoisotopic Mass: 341.053 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 522.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 116686-15-8, the molecular formula is C15H13F2NO4S, and the molecular weight is 341.33 g/mol. InChIKey DIIYLGZNZGPXRR-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.