In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Preparation and acetylcholinesterase inhibitory activities of pyridine-based 1,3,4-oxadiazole derivatives, published in 2020, which mentions a compound: 3326-71-4, mainly applied to pyridinyl oxadiazole preparation acetylcholinesterase inhibition SAR docking, Recommanded Product: 3326-71-4.
Fourteen pyridine-based 1,3,4-oxadiazole derivatives I [R = n-Bu, Ph, 3-pyridyl, etc.] were synthesized from pyridine-2-carboxaldehyde via iodine-mediated oxidative cyclization with substituted hydrazides by using the impregnation method. Their structures were confirmed by m.p., 1H NMR, 13C NMR and HRMS. Preliminary bioassay of these derivatives I, inhibition of acetylcholinesterase (AChE) was also evaluated in-vitro at the concentration of 1μmol/mL. The result showed that compounds I [R = 3-methoxyphenyl, 3-pyridyl, 4-pyridyl] had moderate inhibitory activities with 52%, 59% and 59%, resp. The preliminary structure-activity relationships revealed that the introduction of pyridine ring could enhance the activity. Mol. docking study demonstrated that compound I [R = 4-pyridyl] possessed an optimal docking pose with interactions at the middle of the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE.
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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics