901735-11-3

Upstream product

• 108-30-5 succinic acid anhydride 
• 1937-19-5 1-aminoguanidine hydrochloride 
• 123-54-6 acetylacetone 
• 55293-96-4 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde 

Relevant academic research and scientific papers

Fragment-based discovery of pyrimido[1,2-B]indazole PDE10A inhibitors

In this study, we report the identification of potent pyrimidoindazoles as phosphodiesterase10A (PDE10A) inhibitors by using the method of fragment-based drug discovery (FBDD). The pyrazolopyridine derivative 2 was found to be a fragment hit compound which could occupy a part of the binding site of PDE10A enzyme by using the method of the X-ray co-crystal structure analysis. On the basis of the crystal structure of compound 2 and PDE10A protein, a number of compounds were synthesized and evaluated, by means of structure-activity relationship (SAR) studies, which culminated in the discovery of a novel pyrimidoindazole derivative 13 having good physicochemical properties.

Synthesis of filibuvir. Part II. Second-generation synthesis of a 6,6-disubstituted 2H-pyranone via dieckmann cyclization of a β-acetoxy ester

This paper describes an improved sequence for the conversion of an oxazolidinone (3) to a β-keto lactone (5). The primary drivers behind this change were the modest and variable yields observed in the intramolecular cyclization to generate the β-keto lactone. Changing the cyclization substrate from oxazolidinone to alkyl ester offered a significantly improved cyclization, as well as improvements in the alkyne hydrogenation. Selection of the optimal substrates for methanolysis and intermediate salt formation are also described.