Schultz, T. Wayne published the artcileStructure-activity relationships for gene activation oestrogenicity: evaluation of a diverse set of aromatic chemicals, Name: Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, the publication is Environmental Toxicology (2002), 17(1), 14-23, database is CAplus and MEDLINE.
Structure-activity relationships for estrogenicity were developed based on 120 aromatic chems. evaluated in the Saccharomyces cerevisiae-based Lac-Z reporter assay. Relative gene activation was compared to 17β-estradiol and varied over eight orders of magnitude. Anal. of the data compared to 17β-estradiol identified three structural criteria that were related to xenoestrogen activity and potency: (1) the hydrogen-bonding ability of the phenolic ring mimicking the A-ring, (2) a hydrophobic center similar in size and shape to the B- and C-rings, and (3) a hydrogen-bond donor mimicking the 17β-hydroxyl moiety of the D-ring, especially with an oxygen-to-oxygen distance similar to that between the 3- and 17β-hydroxyl groups of 17β-estradiol. Binding data were segregated into activity clusters including strong, moderate, weak, and detectable gene expression, and those compounds that were inactive. The hydrogen-bonding ability of hydroxy group in the 3-position on 17β-estradiol was observed to be essential for gene activation. Compounds with a 4-hydroxyl substituted benzene ring and a hydrophobic moiety of size and shape equivalent to the B-ring of 17β-estradiol were generally observed to be weakly active compounds Moderately active compounds have a 4-hydroxyl substituted benzene ring with a hydrophobic moiety equivalent in size and shape to the B- and C-ring of 17β-estradiol, or have a high hydrogen-bond donor capacity owing to the presence of halogens on a nonphenolic ring. Strongly active compounds, similar to 4,4′-diethylethylene bisphenol (DES), possess the same hydrophobic ring structure as described for moderately active compounds and an addnl. hydroxyl group with an oxygen-to-oxygen distance close to that exhibited by the 3- and 17-hydroxyl groups of 17β-estradiol.
Environmental Toxicology published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C8H6F3NO, Name: Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate.
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https://en.wikipedia.org/wiki/Ester,
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