The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 4897-84-1, Name is Methyl 4-bromobutanoate, SMILES is O=C(OC)CCCBr, in an article , author is Kobayashi, Takumi, once mentioned of 4897-84-1, Quality Control of Methyl 4-bromobutanoate.
Synthesis and biological activities of simplified aplysiatoxin analogs focused on the CH/pi interaction
Debromoaplysiatoxin (DAT) is a potent protein kinase C (PKC) activator with tumor-promoting and proinflammatory activities. Irie and colleagues have found that 10-methyl-aplog-1 (1), a simplified analog of DAT, has strong anti-proliferative activity against several cancer cell lines with few adverse effects. Therefore, 1 is a potential lead compound for cancer therapy. We synthesized a new derivative 2 which has a naphthalene ring at the side chain terminal position instead of a benzene ring, to increase CH/pi interactions with Pro-241 of the PKC delta-C1B domain. Based on the synthetic route of 1, 2 was convergently synthesized in 26 linear steps from 6-hydroxy-1-naphthoic acid with an overall yield of 0.18%. Although the anti-proliferative activity of 2 was more potent than that of 1, the binding potency of 2 to the PKC delta-C1B domain did not exceed that of 1. Molecular dynamics simulation indicated the capability of 2 to simultaneously form hydrogen bonds and CH/pi interactions with the PKC delta-C1B domain. Focusing on the hydrogen bonds, their geometry in the binding modes involving the CH/pi interactions seemed to be sub-optimal, which may explain the slightly lower affinity of 2 compared to 1. This study could be of help in optimizing such interactions and synthesizing a promising lead cancer compound.
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