Kaiser, Thomas M. published the artcileProspective evaluation and success of a machine learning hit-to-lead drug development program against phosphatidylinositol 3-kinase α, SDS of cas: 1416437-27-8, the publication is ARKIVOC (Gainesville, FL, United States) (2021), 25-43, database is CAplus.
A cheminformatics protocol which dramatically increases quality candidate identification and should reduce attrition rate of compounds entering clinic, increasing cost-effectiveness of drug development is described. All N-(5-(3-aryl)(imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamides I [Ar = pyrimidin-2-yl, pyrazolo[1,5-a]pyrimidin-6-yl, 2-(dimethylamino)pyrimidin-5-yl, 5-ethyl-1,2,4-oxadiazol-3-yl, 2-methoxypyrimidin-5-yl] synthesized from protocol were found to have low nanomolar activity against oncol. target phosphatidylinositol 3-kinase α. Therefore it was proposed that this protocol could be used as a tool for reducing synthetic burden required for hit-to-lead optimization.
ARKIVOC (Gainesville, FL, United States) published new progress about 1416437-27-8. 1416437-27-8 belongs to pyrazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Boronic acid and ester,Boronate Esters,Boronic acid and ester, name is 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine, and the molecular formula is C12H16BN3O2, SDS of cas: 1416437-27-8.
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https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics