Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains.

Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains. J Inorg Biochem. 2020 Jan 18;205:111000 Authors: García-Raso A, Terrón A, Ortega-Castro J, Barceló-Oliver M, Lorenzo J, Rodríguez-Calado S, Franconetti A, Frontera A, Vázquez-López EM, Fiol JJ Abstract In this manuscript we report the preparation of three N6-aminoacid-adenine-derivatives: N-(7H-purin-6-yl)glycine·0.5H2O (N6-GlyAde), N-(7H-purin-6-yl)-β-alanine·1.5H2O (N6-β-AlaAde) and N-(7H-purin-6-yl)-γ-aminobutyric·2H2O (N6-GabaAde) and the synthesis and X-ray characterization of three Ir(III) NAMI-A derivatives (NAMI-A is [imidazoleH][trans-RuIIICl4(DMSO-κS)(imidazole)]) [trans-IrIIICl4(DMSO-κS)(N3-H)-(7H-purin-6-yl)glycine-κN9] (1), [trans-IrIIICl4(DMSO-κS)(N3-H)-(7H-purin-6-yl)-β-alanine-κN9] hydrate (2) and [trans-IrIIICl4(DMSO-κS)(N3-H)-(7H-purin-6-yl)-γ-aminobutyryl-κN9] (3). In all complexes the metal center shows octahedral geometry with coordination to four chlorido ligands and one S coordinated dimethylsulfoxide (DMSO-κS). The coordination sphere of the metal is completed by the modified adenine molecule which is bound via N(9) and protonated at N(3). In two complexes the importance of lone pair (lp)-π interactions involving the adenine ring have been studied using density functional theory (DFT) calculations and the Ba...
Source: Journal of Inorganic Biochemistry - Category: Biochemistry Authors: Tags: J Inorg Biochem Source Type: research

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