Ding, Huai-Wei; Yu, Lu; Bai, Meng-xuan; Qin, Xiao-Chun; Song, Man-tong; Zhao, Qing-Chun published the artcile< Design, synthesis and evaluation of some 1,6-disubstituted-1H-benzo[d]imidazoles derivatives targeted PI3K as anticancer agents>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is sulfonamido methoxypyridinylbenzoimidazolyl pyrazole preparation; phenyl sulfonamido methoxypyridinylbenzoimidazole preparation; antitumor activity kinase inhibition study SAR mol docking; Antitumor; Benzo[d]imidazole; PI3K.
A series of 1,6-disubstituted-1H-benzo[d]imidazoles derivatives I [R5 = Me, (2,4-difluorophenyl)methyl; R2 = 3-hydroxypropyl, 3-methoxy-3-oxopropyl, 3-(morpholin-4-yl)propyl, etc.] and II [R5 = Me, (2,4-difluorophenyl)methyl; R3 = H, methoxy; R4 = 3-hydroxypropyl, 3-methoxy-3-oxopropyl, 3-(morpholin-4-yl)propyl, etc.] designed, synthesized and evaluated their anticancer activity and the compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] was identified as a lead compound Compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] with the most potent antiproliferative activity was selected for further biol. mechanism. The PI3K kinase assay showed potent efficiency against four subtypes of PI3K with an IC50 of 0.5-1.9 nM. Mol. docking showed a possible formation of H-bonding with essential amino acid residues. Meanwhile, western blot assay indicated that compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] inhibited cell proliferation via suppression of PI3K kinase activity and subsequently blocked PI3K/Akt pathway activation in HCT116 cells. In addition, compound II [R5 = (2,4-difluorophenyl)methyl; R3 = H; R4 = 3-hydroxypropyl] inhibited the migration and invasion ability of HCT116 cells and induced apoptosis of HCT116 cells.
Bioorganic Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.
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