Acta Phys. -Chim. Sin. ›› 2002, Vol. 18 ›› Issue (06): 545-549.doi: 10.3866/PKU.WHXB20020615

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Synthesis and Crystal Structures of Cancer Cell Inducers of Differentiation PMDH

Song Xiang-Zhi;Liu Guang;Zhang Shi-Wei   

  1. State Key Laboratory of Molecular Dynamics and Stable Structure, Institute of Physical Chemistry, Peking University, Beijing 100871
  • Received:2001-10-30 Revised:2001-12-11 Published:2002-06-15
  • Contact: Zhang Shi-Wei E-mail:zsw@chem.pku.edu.cn

Abstract: The effective inducer of differentiation,3,3’-(pentane-1,5-diyl)bis(5,5- dimethylhydantoin) (PMDH), was synthesized and identified by MS, NMR , IR and element analysis. Its synthetic method and route were optimized. The structure of the compound was determined by single crystal X-ray diffraction and compared with other Hexamethylenbisamide(HMBA) derivatives. The crystal structure of PMDH belongs to triclinic space group P. Crystallographic data are: a=0.874 1(4) nm, b=1.114 6(2) nm, c=1.721 0(3) nm; α= 87.20(3)°, β=89.77(3)°, γ=85.12(3)°,V=1.668 6(6) nm3, Dc=1.291 g•cm-3, Z=4, F(000)=696,μ=0.095 mm-1, R1= 0.065 1(for observed data), wR2=0.165 7(for unique data), S=1.081. The hyndantoin rings are planar. The molecules are linked by intermolecular hydrogen bonds to form infinite one-dimensional molecular chain almost parallel to the b axis.

Key words: Hexamethylenbisamide(HMBA), 3,3’-(Pentane-1,5-diyl)bis (5,5-dimethylhydantoin) (PMDH), Anticancer activity, Cancer cell inducers of differentiation, Crystal structure