Jennings, Julia J.; Milic, Mira; Targos, Karina; Franz, Annaliese K. published the artcile< NMR quantification of H-bond donating ability for bioactive functional groups and isosteres>, Reference of 76-84-6, the main research area is pharmaceutical hydrogen bond donor functional group NMR spectroscopy; (31)P NMR spectroscopy; Binding interaction; Drug fragment; Drug molecule; Hydrogen-bond donors; Isostere; Molecular interactions; Parameterization; Small molecules; TEPO.
The H-bond donating ability for 127 compounds including drug fragments and isosteres have been quantified using a simple and rapid method with 31P NMR spectroscopy. Functional groups important to medicinal chem. were evaluated including carboxylic acids, alcs., phenols, thioic acids and nitrogen group H-bond donors. 31P NMR shifts for binding to a phosphine oxide probe have a higher correlation with equilibrium constants for H-bonding (log KHA) than acidity (pKa), indicating that these binding experiments are representative of H-bonding ability and not proton transfer. Addnl., 31P NMR binding data for carboxylic acid isosteres correlates with physicochem. properties such as lipophilicity, membrane permeability and plasma protein binding. This method has been used to evaluate the H-bond donating ability of small mol. drug compounds such as NSAIDs and antimicrobials.
European Journal of Medicinal Chemistry published new progress about Antimicrobial agents. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Reference of 76-84-6.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts