高等学校化学学报

高等学校化学学报 ›› 2005, Vol. 26 ›› Issue (8): 1455.

• 研究论文 • 上一篇    下一篇

细胞毒活性二萜Wangzaozin A的晶体结构

丁兰1, 郁开北2, 刘国安1   

  1. 1. 西北师范大学生命科学学院, 兰州730070;
    2. 中国科学院成都有机化学研究所分析测试中心, 成都610041
  • 收稿日期:2004-09-10 出版日期:2005-08-10 发布日期:2005-08-10
  • 通讯作者: 丁　兰(1964年出生),女,博士,副教授,主要从事天然药物化学及细胞生物学研究.E-mail:dinglanl an641@s oh u.com E-mail:dinglanl an641@s oh u.com
  • 基金资助:

    西北师范大学创新工程项目(批准号:NWNU-KJCXGC-02)资助.

Crystal Structure for Cytotoxic Diterpenoids Wangzaozin A

DING Lan1, YU Kai-Bei2, LIU Guo-An1   

  1. 1. College of Life Science, Northwest Normal University, Lanzhou 730070, China;
    2. Chendu Institute of Organic Chemistry, Chinese Academy Sciences, Chengdu 610041, China
  • Received:2004-09-10 Online:2005-08-10 Published:2005-08-10

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被引次数

22

摘要： 采用单晶X射线衍射技术对对映-贝壳杉烷化合物WangzaozinA的晶体结构进行了研究.研究结果表明,在最小不对称单元中存在两个构象稍有差异(键长和键角不同)的分子,其中两者的3个六元环均为椅式构象,而五元环为扭曲信封式构象.WangzaozinA晶体结构属正交晶系,P212121空间群,晶胞参数a=0.66485(8)nm,b=2.5796(4)nm,c=1.0473(2)nm,Z=4.分子通过分子内氢键O3—H30…O2和O3'—H30'…O2'以及分子间氢键O1—H10…O3,O1'—H10'…O3',O2—H20…O4'和O2'—H20'…O4形成网络结构,并在晶体中沿c轴排列.体外抗肿瘤实验证实,标题化合物具有显著的细胞毒活性,由SRB法测试其抗Bel-7402及HO-8910细胞株的IC50值分别为(5.32±0.79)和(4.10±1.00)μmol/L.

关键词: 总序香茶菜, Wangzaozin A, 二萜, 晶体结构, 细胞毒活性

Abstract: The crystal structure of Wangzaozin A was elucidated on the basis of the single-crystal X-ray diffraction analysis. The {X-ray} crystal structure revealed that there were two molecules with a little difference in the bond lengths and bond angles data in least asymmetry unit, and three six-membered rings were in a chair-like conformation, five-membered rings adopted a twist envelope-like conformation in the compound, respectively. The crystal of the compound was in orthorhombic crystal system, space group P2-12-12-1 with accurate lattice constants as follows a=0.664 85(8) nm, b={2.579 6(4) nm}, c={1.047 3(2) nm}, Z=4. The molecules formed extensive networks through the intra-molecular hydrogen bonds O3-H30…O2, O3'-H30'…O2' and intermolecular hydrogen bonds O1-H10…O3, {O1'-H10'…O3'}, O2-H20…O4', O2'-H20'…O4, and arranged along c axis in the crystal. The compound was found to exhibit a significant cytotoxicity against human tumor Bel-7402 and {HO-8910} cells with (5.32±0.79) and (4.10±1.00) μmol/L in SRB assay, respectively.

Key words: Isodon racemosa(Hemsl) Hara, Wangzaozin A, Diterpenoid Crystal structure, Cytotoxicity

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