《Synthesis, crystal structure and ADME prediction studies of novel imidazopyrimidines as antibacterial and cytotoxic agents》 was written by Abdel-Mohsen, Heba T.; Abood, Amira; Flanagan, Keith J.; Meindl, Alina; Senge, Mathias O.; El Diwani, Hoda I.. Name: Ethyl 3-oxopentanoate And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2020. The article conveys some information:
In the present study, a novel series of polyfunctionalized imidazopyrimidines I [R1 = H, 4-OMe, 2,5-di-OMe, 3,4,5-tri-OMe; R2 = H, 3,4-di-Cl, 2-OMe, etc.; R3 = H, CN] were efficiently constructed by a domino reaction between 2-imino-6-substituted-2,3-dihydropyrimidin-4(1H)-ones II [ R3 = H, CN; R4 = Me, Ph, 2,5-di-OMeC6H4, etc.] and 2-bromoacetophenones under mild basic conditions. The synthesized series were screened for their antibacterial activity against S. aureus and B. subtilis as Gram-pos. (+) bacteria, as well as against Gram-neg. (-) bacteria E. coli, K. pneumoniae, P. aeruginosa and S. typhi. Most of the synthesized derivatives of imidazopyrimidines I showed remarkable selectivity against Gram(-) bacteria over the Gram(+) ones. Compounds I [R1 = H; R2 = 4-Cl, 3,4-di-Cl, 2-OMe; R3 = CN] displayed potent and broad-spectrum antibacterial activity against all tested strains. Compounds I [R1 = H; R2 = 3,4-di-Cl, 2-OMe; R3 = CN] displayed promising inhibitory activity on GryB ATPase from E. coli with IC50 = 1.14 and 0.73μM, resp. Simultaneously, some of the synthesized imidazopyrimidines were screened for their antiproliferative activity against 60 cancer cell lines at a concentration of 10μM. Compound I [R1 = Ph; R2 = 4-F; R3 = H] showed potent activity against most of the tested cell lines, with a mean growth inhibition of 37%. The ADME (absorption, distribution, metabolism, and excretion) prediction study demonstrated that the synthesized hits had, in addition to their promising chemotherapeutic activity, acceptable pharmacokinetic properties, and a drug-likeness nature to be further developed. The experimental part of the paper was very detailed, including the reaction process of Ethyl 3-oxopentanoate(cas: 4949-44-4Name: Ethyl 3-oxopentanoate)
Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Name: Ethyl 3-oxopentanoate
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