Synthesis, Crystal Structure and Biological Activity Screening of Novel N-(α-Bromoacyl)-α-amino Esters Containing Valyl Moiety.

Three novel N -(α-bromoacyl)-α-amino esters, methyl 2-(2-bromo-3-methylbutanamido)pentanoate ( 1 ), methyl 2-(2-bromo-3-methylbutanamido)-2-phenylacetate ( 2 ) and methyl 2-(2-bromo-3-methylbutanamido)-3-phenylpropanoate ( 3 ) were synthesized. Single crystal X-ray diffraction data are reported for compounds 1 and 2 . The cytotoxicity, anti-inflammatory and antibacterial activity of compounds 1 - 3 were investigated. Additionally, the physico-chemical properties of studied compounds were calculated and an in silico toxicological study of compounds 1-3 was performed. The low level of cytotoxicity and absence of antibacterial and anti-inflammatory activity of 1-3 in tested concentrations might be a beneficial prerequisite for their incorporation in prodrugs.