Cai, Dong’s team published research in Molecules in 24 | CAS: 39546-32-2

Molecules published new progress about 39546-32-2. 39546-32-2 belongs to piperidines, auxiliary class Piperidine,Amine,Amide, name is Piperidine-4-carboxamide, and the molecular formula is C6H12N2O, Application of Piperidine-4-carboxamide.

Cai, Dong published the artcileExploring new structural features of the 18β-glycyrrhetinic acid scaffold for the inhibition of anaplastic lymphoma kinase, Application of Piperidine-4-carboxamide, the publication is Molecules (2019), 24(19), 3631pp., database is CAplus and MEDLINE.

Novel 18β-glycyrrhetinic acid derivatives possessing a carbamate moiety I [R = 4-ClC6H4, 3,4-di-ClC6H3, 4-Cl-3-CF3C6H3, etc.; R1 = OH, morpholino] and structurally similar ester derivatives II [R2 = 4-ClC6H4CH2, (4-methylpiperazin-1-yl)methyl, (4-formyl-1-piperidyl)methyl, etc.] were developed and evaluated for their efficacy as antitumor inhibitors. In the cellular assays, most of the N-substituted carbamate derivatives I at the C3-position exhibited potent activities. The results of SAR investigation revealed that the introduction of the morpholine group at the C30-COOH led to a significant loss of the inhibitory potency. Among the ester derivatives, the ester group at C3-position also determined a noticeable reduction in the efficacy. Compound I [R = 3-CF3C6H4; R1 = OH] exhibited the most prominent antiproliferative activity against six human cancer cells (A549, HT29, HepG2, MCF-7, PC-3, and Karpas299). Furthermore, compound I [R = 3-CF3C6H4; R1 = OH] exerted a moderate inhibiting effect on the ALK. The results of mol. docking analyses suggested that it could bind well to the active site of the receptor ALK, which was consistent with the biol. data. These results might inspire further structural optimization of 18β-glycyrrhetinic acid aiming at the development of potent antitumor agents. The structures I [R = 4-ClC6H4, 4-BrC6H4, 4-FC6H4, 3-CF3C6H4, 4-CF3OC6H4; R1 = morpholino] were studied by X-ray crystallog. analyses.

Molecules published new progress about 39546-32-2. 39546-32-2 belongs to piperidines, auxiliary class Piperidine,Amine,Amide, name is Piperidine-4-carboxamide, and the molecular formula is C6H12N2O, Application of Piperidine-4-carboxamide.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem