Discovery and rational design of 2-aminopyrimidine-based derivatives targeting Janus kinase 2 (JAK2) and FMS-like tyrosine kinase 3 (FLT3) was written by Li, Yingxiu;Wang, Peng;Chen, Cong;Ye, Tianyu;Han, Yufei;Hou, Yunlei;Liu, Yajing;Gong, Ping;Qin, Mingze;Zhao, Yanfang. And the article was included in Bioorganic Chemistry in 2020.Computed Properties of C8H15NO2 This article mentions the following:
Herein, with the help of computer-aided drug design (CADD), the structure-based rational drug design, structure-activity relationships, and synthesis of a series of 2-aminopyrimidine derivatives that inhibit both JAK2 and FLT3 kinases was described. These screening cascades revealed that compound I [R1 = 5-Cl] demonstrated the most inhibitory activity with IC50 values of 1.8 and 0.68 nM against JAK2 and FLT3 resp. Compound I [R1 = 5-Cl] also showed potent anti-proliferative activities against HEL (IC50 = 0.84μM) and Molm-13 (IC50 = 0.019μM) cell lines, but relatively weak cytotoxicity against K562 and PC-3 cell lines, which proved that it might have high target specificity. In-vitro metabolism assay, I [R1 = 5-Cl] exhibited moderate stability in RLM (Rat Liver Microsomes) with a half-life time of 31 min. In the cellular context of Molm-13, I [R1 = 5-Cl] induced cell cycle arrest in G1/S phase and enhanced apoptosis in a dose-dependent manner. These results indicated that I [R1 = 5-Cl] s a promising dual JAK2/FLT3 inhibitor and worthy of further development. In the experiment, the researchers used many compounds, for example, Ethyl piperidine-4-carboxylate (cas: 1126-09-6Computed Properties of C8H15NO2).
Ethyl piperidine-4-carboxylate (cas: 1126-09-6) belongs to piperidine derivatives. Piperidine is a saturated organic heteromonocyclic parent, an azacycloalkane, a secondary amine and a member of piperidines. Fluorinated piperidines are also the subject of continued interest in medicinal chemistry, for example in the synthesis of selective dipeptidyl peptidase II (DPP II) inhibitors. Piperidine derivatives are also used in solid-phase peptide synthesis (SPPS) and many degradation reactions.Computed Properties of C8H15NO2
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem