Zhou, Yan published the artcileDesign, synthesis, and evaluation of dihydropyranopyrazole derivatives as novel PDE2 inhibitors for the treatment of Alzheimer’s disease, HPLC of Formula: 939-99-1, the publication is Molecules (2021), 26(10), 3034, database is CAplus and MEDLINE.
In this study, (R)-LZ77 was obtained as a hit compound with moderate PDE2 inhibitory activity (IC50 = 261.3 nM) using a high-throughput virtual screening method based on mol. dynamics. Then, 28 dihydropyranopyrazole derivatives I [R1 = H, CH3O, Cl; R2 = H, CH3, CH3O, etc.; R3 = H, CH3, C6H5; R4 = H, CH3O, Cl, etc; R5 = NH2, (CH3)2N; n = 1, 2, 3] and II [R6 = Cl, CF3; n = 0, 2, 3] were designed and synthesized as PDE2 inhibitors. Among them, compound (+)-I [R1 = H; R2 = CH3O; R3 = CH3; R4 = CF3; R5 = NH2; n = 1] was the most potent PDE2 inhibitor, with an IC50 value of 41.5 nM. The mol. docking of PDE2-(+)-I [R1 = H; R2 = CH3O; R3 = CH3; R4 = CF3; R5 = NH2; n = 1] revealed that the 4-(trifluoromethyl)benzyloxyl side chain of the compound enters the H-pocket and forms strong hydrophobic interactions with L770/L809/F862, which improves inhibitory activity. The above results may provide insight for further structural optimization of highly potent PDE2 inhibitors and may lay the foundation for their use in the treatment of AD.
Molecules published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H3ClN2O, HPLC of Formula: 939-99-1.
Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics