title: Gold(III) bis-thiosemicarbazonato complexes: synthesis, characterization, radiochemistry and X-ray crystal structure analysis.
abstract: BACKGROUND
  A variety of (bis)thiosemicarbazone-based ligand systems have been investigated as chelating agents for Au(III) complexes with potential radiotherapeutic applications. Ligand systems containing an ethyl, propyl or butyl backbone between the two imine N donors have been synthesized to evaluate chelate ring size effects on the resultant Au(III) complex stability at the macroscopic and radiotracer levels.
  
  
  METHODS
  The Au(III) complexes were synthesized and characterized by NMR, electrospray ionization mass spectra, elemental analysis and X-ray crystallography. The (198)Au complexes were evaluated in vitro at the tracer level for stability in phosphate-buffered saline at pH 7.4 and 37 degrees C. One of these complexes [(198)Au(3,4-HxTSE)] showed high in vitro stability and was further evaluated in vivo in normal mice.
  
  
  RESULTS
  [Au(ATSM)]AuCl(4).2CH(3)OH, (ATSM=diacetyl-bis(N(4)-methylthiosemicarbazone)) H(14)C(8)N(6)O(2)S(2)Cl(4)Au(2).2CH(3)OH, crystallized from methanol in the monoclinic space group P21/n with a=14.7293(13) A, b=7.7432(7) A, c=20.4363(18) A, beta=100.140(2) degrees, V=2294.4 (4) A(3), Z=4; [Au(3,4-HxTSE)]Cl.CH(3)CH(2)OH/AuCl(2), (3,4-HxTSE=3,4-hexanedione-bis(N(4)-ethylthiosemicarbazone)) H(26)C(13.6)N(6)O(0.8)S(2)Cl(1.2)Au(1.2), crystallized from ethanol in the monoclinic space group P21/c with a=10.1990(10) A, b=13.8833(14) A, c=15.1752(15) A, beta=99.353(2) degrees , V=2120.2 (4) A(3), Z=4.
  
  
  CONCLUSIONS
  These studies revealed poor stability of the [(198)Au][Au(3,4-HxTSE)](+) complex; however, crystal structure data suggest potential alterations to the ligand backbone may increase stability.
authors.affiliation: Department of Chemistry, University of Missouri, Columbia, MO 65211, USA.
authors.forename: Brienne N
authors.initials: BN
authors.lastname: Bottenus
authors.forename: Para
authors.initials: P
authors.lastname: Kan
authors.forename: Tyler
authors.initials: T
authors.lastname: Jenkins
authors.forename: Beau
authors.initials: B
authors.lastname: Ballard
authors.forename: Tammy L
authors.initials: TL
authors.lastname: Rold
authors.forename: Charles
authors.initials: C
authors.lastname: Barnes
authors.forename: Cathy
authors.initials: C
authors.lastname: Cutler
authors.forename: Timothy J
authors.initials: TJ
authors.lastname: Hoffman
authors.forename: Mark A
authors.initials: MA
authors.lastname: Green
authors.forename: Silvia S
authors.initials: SS
authors.lastname: Jurisson
mesh_terms: D000818:Animals; D018360:Crystallography, X-Ray; D006046:Gold / Q000737:chemistry*; D006801:Humans; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D051379:Mice; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry* / Q000191:economics / Q000493:pharmacokinetics; D011854:Radiochemistry; D021241:Spectrometry, Mass, Electrospray Ionization; D013882:Thiosemicarbazones / Q000737:chemistry*; D014018:Tissue Distribution
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D013882:Thiosemicarbazones; C035532:thiosemicarbazone H; D006046:Gold