Wang Cheng, Cheng Yi-Qiang
Department of Biological Sciences, Department of Chemistry and Biochemistry, Univeristy of Wisconsin-Milwaukee, PO Box 413, Milwaukee, WI 53201, USA.
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2948-9. doi: 10.1107/S1600536811041390. Epub 2011 Oct 12.
THAILANDEPSIN A [SYSTEMATIC NAME: (E)-(1S,5S,6R,9S,20R)-6-[(2S)-butan-2-yl]-5-hy-droxy-20-[2-(meth-yl-sulfan-yl)eth-yl]-2-oxa-11,12-dithia-7,19,22-triaza-bicyclo-[7.7.6]docosa-15-ene-3,8,18,21-tetra-one], C(23)H(37)N(3)O(6)S(3), is a newly reported [Wang et al. (2011). J. Nat. Prod. doi:10.1021/np200324x] bicyclic depsipeptide that has potent histone deacetyl-ase inhibitory activity and broad-spectrum anti-proliferative activity. The absolute configuration of thailandepsin A has been determined from the anomalous dispersion and the stereochemistry of all chiral C atoms. Intra-molecular N-H⋯O and N-H⋯S hydrogen bonds occur. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds are observed in the crystal structure.
泰国埃斯皮辛A [系统名称：(E)-(1S,5S,6R,9S,20R)-6-[(2S)-丁-2-基]-5-羟基-20-[2-(甲基硫烷基)乙基]-2-氧杂-11,12-二硫杂-7,19,22-三氮杂双环-[7.7.6]二十二碳-15-烯-3,8,18,21-四酮]，C(23)H(37)N(3)O(6)S(3)，是一种新报道的[王等人（2011年）。《天然产物杂志》。doi:10.1021/np200324x] 具有有效的组蛋白脱乙酰酶抑制活性和广谱抗增殖活性的双环缩肽。泰国埃斯皮辛A的绝对构型已通过反常色散和所有手性碳原子的立体化学确定。分子内存在N-H⋯O和N-H⋯S氢键。在晶体结构中观察到分子间N-H⋯O和O-H⋯O氢键。
