Jennings, JJ; Milic, M; Targos, K; Franz, AK in [Jennings, Julia J.; Milic, Mira; Targos, Karina; Franz, Annaliese K.] Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA published NMR quantification of H-bond donating ability for bioactive functional groups and isosteres in 2020, Cited 54. SDS of cas: 150-19-6. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6.
The H-bond donating ability for 127 compounds including drug fragments and isosteres have been quantified using a simple and rapid method with P-31 NMR spectroscopy. Functional groups important to medicinal chemistry were evaluated including carboxylic acids, alcohols, 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 K-A(H)) than acidity (pK(a)), indicating that these binding experiments are representative of H-bonding ability and not proton transfer. Additionally, 31P NMR binding data for carboxylic acid isosteres correlates with physicochemical properties such as lip-ophilicity, membrane permeability and plasma protein binding. This method has been used to evaluate the H-bond donating ability of small molecule drug compounds such as NSAIDs and antimicrobials. (C) 2020 Elsevier Masson SAS. All rights reserved.
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,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles