859537-79-4

Basic information

• Product Name: Phenol, 4-(ethylsulfonyl)-
• CAS NO: 859537-79-4
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• Mol File: 859537-79-4.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Phenol, 4-(ethylsulfonyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 4-(ethylsulfonyl)-(859537-79-4)
• EPA Substance Registry System: Phenol, 4-(ethylsulfonyl)-(859537-79-4)

Safety Data

• Hazardous Substances Data: 859537-79-4(Hazardous Substances Data)

Upstream product

• 696-63-9 4-Methoxybenzenethiol 
• 7205-58-5 ethyl (4-methoxyphenyl) sulfide 
• 7205-79-0 1-(ethylsulfonyl)-4-methoxybenzene 
• 637-89-8 4-sulfanylphenol 
• 2924-67-6 fluoresone 
• 1195-46-6 4-(ethylthio)phenol 

Downstream Products

• 1616280-05-7 5-{2-[4-(ethylsulfonyl)phenoxy]-5-nitrophenyl}-1-methylpyrrolidin-2-one 
• 1616280-18-2 C₂₂H₂₅IN₂O₆S 
• 1616280-16-0 C₂₂H₂₅IN₂O₆S 
• 1616280-07-9 5-{5-amino-2-[4-(ethylsulfonyl)phenoxy]-4-iodophenyl}-1-methylpyrrolidin-2-one 
• 1616280-10-4 5-{5-amino-2-[4-(ethylsulfonyl)phenoxy]phenyl}-1-methylpyrrolidin-2-one 
• 1616280-24-0 C₃₀H₃₁N₃O₆S 
• 1616280-27-3 C₂₉H₂₉N₃O₆S 
• 84996-11-2 4-(ethylsulfonyl)-2-nitro-phenol 
• 945531-77-1 ezutromid 
• 886978-05-8 methyl 5-[4-(ethylsulfonyl)phenoxy]-2-nitrobenzoate 
• 886976-77-8 methyl 2-[4-(ethylsulfonyl)phenoxy]-5-nitro-4-[(pyridin-2-ylcarbonyl)amino]benzoate 
• 36116-12-8 1,3-Bis-(4-ethanesulfonyl-phenoxy)-propan-2-ol 
• 60964-52-5 1,3-Dichloro-2-(4-ethanesulfonyl-phenoxy)-5-nitro-benzene 
• 60962-62-1 1-[3,5-Dichloro-4-(4-ethanesulfonyl-phenoxy)-phenyl]-3-((E)-3-ethoxy-acryloyl)-urea 

Relevant articles and documents

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

Sulfoxide and sulfone compounds, as well as selective synthesis method and application thereof

The invention discloses a method for selectively synthesizing a sulfoxide compound shown as a formula (II) and a sulfone compound shown as a formula (III). In a reaction solvent, thioether (I) is usedas a reaction raw material and oxygen as an oxidation reagent, under the catalytic action of visible light and a photosensitive reagent; under the assistance of an additive, when a large-polarity proton-containing additive such as an acid and an alcohol or a solvent or an additive with excellent electron donating ability is used, a sulfoxide compound (II) is selectively generated; and when a small-polarity aprotic additive or a solvent is used, a sulfone compound (III) is selectively generated. The synthesis method has the advantages of easily available and cheap raw materials, simple reaction operation, mild reaction conditions, high yield and excellent functional group tolerance. According to the invention, synthesis and modification of some medicines are realized, and an efficient method for selectively constructing sulfoxide and sulfone compounds is provided for medicinal chemistry research.

1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS

The present invention relates to substituted pyrrolopyridinones and substituted pyrazolopyridinones which are inhibitors of BET proteins such as BRD2, BRD3, BRD4, and BRD-t and are useful in the treatment of diseases such as cancer.