title: Characterization of the first N2S(alkylthiolate)lead compound: a model for three-coordinate lead in biological systems.
abstract: A new N2S(alkylthiolate)-coordinated Pb2+ compound {2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]propane-2-thiolatolead perchlorate, [PATH-Pb][ClO4]} has been synthesized and characterized by X-ray diffraction and by 207Pb NMR. [PATH-Pb]+ is the first reported three-coordinate Pb complex with an alkanethiolate ligand and, hence, is a good model for Pb-cysteine interactions in proteins. The Pb center displays distorted trigonal-planar geometry. The Pb-S bond lengths are extremely short (2.590(10) and 2.597(10) A for two distinct monomers in the unit cell). 207Pb NMR revealed a Pb resonance at 5318 ppm, much further downfield than Pb complexes with N and O ligation. Given recent evidence of three-coordinate Pb-binding in proteins with cysteine-rich metal-binding sites, [PATH-Pb]+ is an important model for Pb sites in biological systems. Crystal data: C12H19N2SPbClO4, Mr = 529.99, monoclinic, P2(1)/n, a = 16.8297(9) A, b = 11.9719(6) A, c = 17.0868(9) A, V = 3237.7(3) A3, and Z = 8.
authors.affiliation: Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113, USA.
authors.forename: Ryan J
authors.initials: RJ
authors.lastname: Andersen
authors.forename: Robert C
authors.initials: RC
authors.lastname: diTargiani
authors.forename: Robert D
authors.initials: RD
authors.lastname: Hancock
authors.forename: Charlotte L
authors.initials: CL
authors.lastname: Stern
authors.forename: David P
authors.initials: DP
authors.lastname: Goldberg
authors.forename: Hilary A
authors.initials: HA
authors.lastname: Godwin
mesh_terms: D000478:Alkylation; D007854:Lead / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008954:Models, Biological; D008958:Models, Molecular; D008968:Molecular Conformation; D011336:Probability; D013438:Sulfhydryl Compounds / Q000737:chemistry*; D013696:Temperature
chemical_list: D013438:Sulfhydryl Compounds; D007854:Lead