1030367-96-4

Basic information

• Product Name: 2-(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)acetic acid
• Synonyms: 2-(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)acetic acid
• CAS NO: 1030367-96-4
• Molecular Weight: 522.588
• Mol File: 1030367-96-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)acetic acid(1030367-96-4)
• EPA Substance Registry System: 2-(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)acetic acid(1030367-96-4)

Safety Data

• Hazardous Substances Data: 1030367-96-4(Hazardous Substances Data)

Upstream product

• 457889-46-2 (4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methanol 
• 1030367-87-3 2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenol 
• 1030367-81-7 tert-butyl dimethyl(2-methyl-4-((2-phenyl-1-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)ethyl)thio)phenoxy)silane 
• 1030367-80-6 tert-butyl dimethyl(2-methyl-4-(((4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methyl)thio)phenoxy)silane 
• 1030367-79-3 2-methyl-4-(((4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methyl)thio)phenol 
• 454464-38-1 4-Chloromethyl-4'-trifluoromethyl-biphenyl 

Relevant articles and documents

Synthesis and evaluation of an orally available “Y”-shaped biaryl peroxisome proliferator-activated receptor δ agonist

In this study, we designed and synthesized several novel “Y”-shaped biaryl PPARδ agonists. Structure-activity relationship (SAR) studies demonstrated that compound 3a was the most active agonist with an EC50 of 2.6 nM. We also synthesized and evaluated enantiospecific R and S isomers of compound 3a to confirm that R isomer (EC50 = 0.7 nM) shows much more potent activity than S isomer (EC50 = 6.1 nM). Molecular docking studies between the PPAR ligand binding domain and enantiospecific R and S isomers of compound 3a were performed. In vitro absorption, distribution, metabolism, excretion, and toxicity (ADMET) and in vivo PK profiles show that compound 3a possesses superior drug-like properties including good bioavailability. Our overall results clearly demonstrate that this orally administrable PPARδ agonist 3a is a viable drug candidate for the treatment of various PPARδ-related disorders.