3583-58-2

Basic information

• Product Name: Benzeneacetic acid, 4-(ethylthio)-
• CAS NO: 3583-58-2
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• Mol File: 3583-58-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 77 - 78 °C
• CAS DataBase Reference: Benzeneacetic acid, 4-(ethylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 4-(ethylthio)-(3583-58-2)
• EPA Substance Registry System: Benzeneacetic acid, 4-(ethylthio)-(3583-58-2)

Safety Data

• Hazardous Substances Data: 3583-58-2(Hazardous Substances Data)

Upstream product

• 622-38-8 Ethyl phenyl sulfide 
• 108-98-5 thiophenol 
• 3585-73-7 1-[4-(ethylsulfanyl)phenyl]ethan-1-one 
• 75-08-1 ethanethiol 
• 1878-68-8 2-(4-bromophenyl)-acetic acid 

Downstream Products

• 383135-47-5 2-[4-(ethanesulfonyl)phenyl]acetic acid 
• 1508310-55-1 2-[4-(ethylsulfonyl)phenyl]-N-(4-formylphenyl)acetamide 
• 1508310-56-2 2-[4-(ethylsulfonyl)phenyl]-N-{4-[(propylamino)methyl]phenyl}acetamide 

Relevant articles and documents

Discovery of tert-amine-based RORγt agonists

The nuclear receptor retinoic acid receptor-related orphan receptor gamma-t (RORγt) is a transcription factor regulating Th17 cell differentiation and proliferation from naive CD4+ T cells. Since Th17 cells have demonstrated the antitumor efficacy by eliciting remarkable activation of CD8+ T cells, RORγt agonists could be applied as potential small molecule therapeutics for cancer immunotherapy. Based on the previously reported RORγt agonist 1 and its resolved co-crystal structure, a series of new tertiary amines were designed, synthesized and biologically evaluated, yielding optimal moieties with improved chemical properties and biological responses. The combination of these optimal moieties resulted in identification of novel RORγt agonists such as 8b with further elevated RORγt agonism responses at a target-based level as well as in cell-based assays, which provided some structural knowledge for further optimization of RORγt agonists as small molecule therapeutics for cancer immunotherapy.

BIARYL COMPOUND, PREPARATION METHOD AND USE THEREFOR

The present invention belongs to the technical field of chemical pharmaceuticals, and relates to a compound represented by general formula (I) or formula (II) and a preparation method thereof. The compounds are biaryl derivatives with RORγt activation activity. The biaryl derivatives disclosed in this invention can effectively activate the RORγt protein receptor, and thereby promote the differentiation of Th17 cells and increasing the production of IL-17, which can be used as an immune modulator for the treatment of various cancers or viral infection-related diseases.