Department of Chemistry, University of Missouri, Columbia, MO 65211, USA.
Nucl Med Biol. 2010 Jan;37(1):41-9. doi: 10.1016/j.nucmedbio.2009.08.003. Epub 2009 Oct 3.
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.
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.
[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.
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.
各种（双）硫代半卡巴腙基配体系统已被研究为 Au(III) 配合物的螯合剂，具有潜在的放射治疗应用。合成了含有乙基、丙基或丁基骨架的配体系统，以评估螯合环大小对宏观和示踪剂水平下所得 Au(III) 配合物稳定性的影响。
通过 NMR、电喷雾电离质谱、元素分析和 X 射线晶体学对 Au(III) 配合物进行了合成和表征。在 pH 值为 7.4 和 37 摄氏度的磷酸盐缓冲液中，以示踪剂水平评估了（198）Au 配合物的稳定性。其中一种配合物[(198)Au(3,4-HxTSE)]表现出高的体外稳定性，并进一步在正常小鼠体内进行了评估。
[Au(ATSM)]AuCl(4).2CH(3)OH，（ATSM=二乙酰基双（N(4)-甲基硫代半卡巴腙））H(14)C(8)N(6)O(2)S(2)Cl(4)Au(2).2CH(3)OH，从甲醇中结晶，属于单斜晶系 P21/n，晶胞参数为 a=14.7293(13)A，b=7.7432(7)A，c=20.4363(18)A，β=100.140(2)°，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-己二酮-双（N(4)-乙基硫代半卡巴腙））H(26)C(13.6)N(6)O(0.8)S(2)Cl(1.2)Au(1.2)，从乙醇中结晶，属于单斜晶系 P21/c，晶胞参数为 a=10.1990(10)A，b=13.8833(14)A，c=15.1752(15)A，β=99.353(2)°，V=2120.2 (4) A(3)，Z=4。
这些研究表明，[(198)Au]Au(3,4-HxTSE) 配合物稳定性差；然而，晶体结构数据表明，配体骨架的潜在改变可能会增加稳定性。
