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Synthesis, Structure Analysis, and Antitumor Activity of ( R )‐2,4‐Dioxo‐5‐fluoro‐1‐[1‐(methoxycarbonyl) Ethylaminocarbonylmethyl]‐1,2,3,4‐tetrahydropyrimidine
Author(s) -
Yuan JiXin,
Cai XiaoQing,
Chen DiMei,
Hu MaoLin
Publication year - 2007
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200790080
Subject(s) - chemistry , orthorhombic crystal system , dipeptide , stereochemistry , crystal structure , proton nmr , elemental analysis , carbon 13 nmr , crystallography , single crystal , amino acid , organic chemistry , biochemistry
Abstract A new dipeptide compound, ( R )‐2,4‐dioxo‐5‐fluoro‐1‐[1‐(methoxycarbonyl) ethylaminocarbonylmethyl]‐1,2,3, 4‐tetrahydropyrimidine (5‐FUAPM), has been synthesized and identified by means of elemental analysis, IR, 1 H NMR and 13 C NMR spectra. The single crystal of compound 5‐FUAPM·DMF was also obtained and characterized by DSC‐TGA techniques. The crystal belongs to orthorhombic space group P 2 1 2 1 2 1 with the cell parameters: a =0.4740(7) nm, b =1.923(3) nm, c =1.9229 nm, α = β = γ =90°, V =1.753 nm 3 , Z =4, D c =1.312 g/cm 3 , M r =346.32, F (000) =728 and μ =0.111 mm −1 . The final R and wR are 0.1378 and 0.2862, respectively. The result of the biological test showed that the compound 5‐FUAPM has certain antitumor activities.