Profiling 976 ToxCast Chemicals across 331 Enzymatic and Receptor Signaling Assays was written by Sipes, Nisha S.;Martin, Matthew T.;Kothiya, Parth;Reif, David M.;Judson, Richard S.;Richard, Ann M.;Houck, Keith A.;Dix, David J.;Kavlock, Robert J.;Knudsen, Thomas B.. And the article was included in Chemical Research in Toxicology in 2013.Formula: C28H38O19 This article mentions the following:
Understanding potential health risks is a significant challenge due to the large numbers of diverse chems. with poorly characterized exposures and mechanisms of toxicities. The present study analyzes 976 chems. (including failed pharmaceuticals, alternative plasticizers, food additives, and pesticides) in Phases I and II of the U.S. EPA’s ToxCast project across 331 cell-free enzymic and ligand-binding high-throughput screening (HTS) assays. Half-maximal activity concentrations (AC50) were identified for 729 chems. in 256 assays (7135 chem.-assay pairs). Some of the most commonly affected assays were CYPs (CYP2C9 and CYP2C19), transporters (mitochondrial TSPO, norepinephrine, and dopaminergic), and GPCRs (aminergic). Heavy metals, surfactants, and dithiocarbamate fungicides showed promiscuous but distinctly different patterns of activity, whereas many of the pharmaceutical compounds showed promiscuous activity across GPCRs. Literature anal. confirmed >50% of the activities for the most potent chem.-assay pairs (54) but also revealed 10 missed interactions. Twenty-two chems. with known estrogenic activity were correctly identified for the majority (77%), missing only the weaker interactions. In many cases, novel findings for previously unreported chem.-target combinations clustered with known chem.-target interactions. Results from this large inventory of chem.-biol. interactions can inform read-across methods as well as link potential targets to mol. initiating events in adverse outcome pathways for diverse toxicities. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (cas: 126-14-7Formula: C28H38O19).
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (cas: 126-14-7) belongs to tetrahydrofuran derivatives. Tetrahydrofuran (THF) is a Lewis base that bonds to a variety of Lewis acids such as I2, phenols, triethylaluminum and bis(hexafluoroacetylacetonato)copper(II). Tetrahydrofuran can also be produced, or synthesised, via catalytic hydrogenation of furan. This process involves converting certain sugars into THF by digesting to furfural. An alternative to this method is the catalytic hydrogenation of furan with a nickel catalyst.Formula: C28H38O19
Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem