Ariawan, Daryl published the artcileThe nature of diamino linker and halogen bonding define selectivity of pyrrolopyrimidine-based LIMK1 Inhibitors, Name: (S)-N-(3-Bromophenyl)-N’-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 781213, database is CAplus and MEDLINE.
The LIM-domain kinase (LIMK) family consists of two isoforms, LIMK1 and LIMK2, which are highly homologous, making selective inhibitor development challenging. LIMK regulates dynamics of the actin cytoskeleton, thereby impacting many cellular functions including cell morphol. and motility. Here, we designed and synthesized analogs of a known pyrrolopyrimidine LIMK inhibitor with moderate selectivity for LIMK1 over LIMK2 to gain insights into which features contribute to both activity and selectivity. We incorporated a different stereochem. around a cyclohexyl central moiety to achieve better selectivity for different LIMK isoforms. Inhibitory activity was assessed by kinase assays, and biol. effects in cells were determined using an in vitro wound closure assay. Interestingly, a slight change in stereochem. alters LIMK isoform selectivity. Finally, a docking study was performed to predict how the new compounds interact with the target.
Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 1116571-01-7. 1116571-01-7 belongs to piperazines, auxiliary class Other Aromatic Heterocyclic,Piperazine,Chiral,Nitrile,Bromide,Carbamidine,Amine,Benzene, name is (S)-N-(3-Bromophenyl)-N’-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide, and the molecular formula is C20H21BrN8, Name: (S)-N-(3-Bromophenyl)-N’-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide.
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