185140-20-9Relevant academic research and scientific papers
Complementary hydrogen bonding of a carboxylato-barbiturate with urea and acetamide: Experimental and theoretical approach
Hasan, Md. Amin,Seshaditya,Záli?, Stanislav,Mishra, Lallan
, p. 532 - 539 (2011)
A barbiturate derivative, 4-(2,4,6-trioxo-tetrahydro-pyrimidine-5- ylidenemethyl)-benzoic acid (L1) possessing functional complementarity to amides has been synthesized and characterized. Its binding separately with urea and acetamide was monitored using UV-vis, fluorescence and 1H-NMR spectroscopic titrations. Experiments suggested stronger binding of L1 with urea as compared to acetamide. The solid adducts of L1 prepared separately with urea and acetamide were also characterized using IR, 1H-NMR spectral and PXRD techniques. Theoretical studies on hydrogen bonded complexes of L1-urea and L1-acetamide in the gas phase, aqueous, and DMSO medium were carried out using density functional theory (DFT) at the B3LYP/6-31G** level. The theoretical calculations agreed to the experimental results.
Evaluation of michael-type acceptor reactivity of 5-benzylidenebarbiturates, 5-benzylidenerhodanines, and related heterocycles using NMR
Arsovska, Emilija,Trontelj, Jurij,Zidar, Nace,Tomai, Tihomir,Mai, Lucija Peterlin,Kikelj, Danijel,Plavec, Janez,Zega, Anamarija
, p. 637 - 644 (2014/12/11)
Despite existing experimental and computational tools to assess the risk, the non-specific chemical modification of protein thiol groups remains a significant source of false-positive hits, particularly in academic drug discovery. Herein, we describe the
Preparation and reactivity of 5-benzylidenebarbituric and 5-benzylidene-2-thiobarbituric acids
Zidar, Nace,Kikelj, Danijel
experimental part, p. 151 - 157 (2012/04/17)
The reaction between barbituric acid or 2-thiobarbituric acid and different benzaldehydes, dependent upon the applied reaction conditions, selectively yields three different product types, i.e. 5-benzylidene(thio)barbituric acids II, symetric Michael addu
Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors
Haldar, Manas K.,Scott, Michael D.,Sule, Nitesh,Srivastava,Mallik, Sanku
, p. 2373 - 2376 (2008/09/20)
The syntheses of a new class of barbiturate-based inhibitors for human and Escherichia Coli methionine aminopeptidase-1 (MetAP-1) are described. Some of the synthesized inhibitors show selective inhibition of the human enzyme with high potency.
