Anti-tumor Metastasis and Crystal Structure of N^1-(1,3,4-Thiadiazole-2-yl)-N^3-m-chlorobenzoyl-urea  

作　　者：邹霞娟 章士伟 刘莹 刘振明 高军卫 宋前流 潘燕 张剑钊 李学军 

机构地区：[1]Proteomics Laboratory,Medical and Healthy Analytical Center,Peking University [2]State Key Laboratory for Structural Chemistry of Unstable and Stable Species,College of Chemistry and Molecular Engineering,Peking University [3]School of Basic Medical Sciences,Peking University

出　　处：《Chinese Journal of Structural Chemistry》2011年第7期1001-1005,共5页结构化学（英文）

基　　金：supported by 863 high technology program (No.2001AA23561)

摘　　要：The title compound N1-（1,3,4-thiadiazole-2-yl）-N3-m-chlorobenzoyl-urea （C9HTN4OSC1, Mr = 254.70） was prepared by the reaction of m-chlorophenyl isocyanate with 2-amino-1,3,4- thiadiazole in dry acetonitrile. The effect of the title compound on tumor metastasis was analyzed by Lewis-lung-carcinoma model. The bioassay showed that the title compound significantly reduced the number of lung metastasis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 11.565（2）, b = 9.5616（19）, c = 10.221（2） A, β = 111.75（3）°, Z = 4, V= 1049.8（4） A3, De = 1.612 Mg/m3, F（000） = 520, g（MoKa） = 0.544 mm^-1, R = 0.0468 and wR = 0.0922 for 1236 observed reflections （I〉 2σ（I）.The title compound N1-（1,3,4-thiadiazole-2-yl）-N3-m-chlorobenzoyl-urea （C9HTN4OSC1, Mr = 254.70） was prepared by the reaction of m-chlorophenyl isocyanate with 2-amino-1,3,4- thiadiazole in dry acetonitrile. The effect of the title compound on tumor metastasis was analyzed by Lewis-lung-carcinoma model. The bioassay showed that the title compound significantly reduced the number of lung metastasis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 11.565（2）, b = 9.5616（19）, c = 10.221（2） A, β = 111.75（3）°, Z = 4, V= 1049.8（4） A3, De = 1.612 Mg/m3, F（000） = 520, g（MoKa） = 0.544 mm^-1, R = 0.0468 and wR = 0.0922 for 1236 observed reflections （I〉 2σ（I）.

关 键 词：crystal structure anti-tumor metastasis 2-amino-1 3 4-thiadiazole derivatives Lewis-lung-carcinoma model synthesis 

分 类 号：O621.2[理学—有机化学]