PREDICTION OF ACUTE TOXICITY FOR (Z)-3-(2- PHENYLHYDRAZINYLIDENE)BENZOFURAN-2(3H)-ONE AND ITS DERIVATIVES FOR RATS USING GUSAR PROGRAM

被引:0
|
作者
Askerova, Ulviyya F. [1 ]
机构
[1] Baku State Univ, Dept Organ Chem, Baku, Azerbaijan
来源
关键词
computer prediction LD50; GUSAR program; (Z)-3-(2-phenylhydrazinylidene) benzofuran-2(3H)-one derivatives;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The value of half-lethal doses (LD50) for rodents is a necessary stage of preclinical experimental studies for compounds supposedly having a certain physiological activity. The GUSAR (General Unrestricted Structure-Activity Relationships) computer program is used to determine the LD50 value for the 4 methods of substance administration. A prediction of the LD50 value for (Z)-3-(2-phenylhydrazinylidene)benzofuran-2(3H)-one and its derivatives was gained, and thus the possibilities of computer prediction for acute toxicity were shown.
引用
收藏
页码:50 / 56
页数:7
相关论文
共 50 条
  • [41] CRYSTAL-STRUCTURE OF (Z)-7-T-BUTYL-5-METHOXY-3-[(Z)-2'-METHOXY-5',5'-DIMETHYL-4'-OXOHEX-2'-ENYLIDENE]BENZOFURAN-2(3H)-ONE
    HALL, SR
    RASTON, CL
    WHITE, AH
    AUSTRALIAN JOURNAL OF CHEMISTRY, 1977, 30 (09) : 1987 - 1992
  • [42] Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis
    Liu, Yang
    Li, Jiangtao
    Ye, Xinyi
    Zhao, Xiaowei
    Jiang, Zhiyong
    CHEMICAL COMMUNICATIONS, 2016, 52 (97) : 13955 - 13958
  • [43] (Z)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2H)-one
    Reddy, J. Satyanarayana
    Kumar, N. Ravi
    Prasad, J. Venkata
    Gopikrishna, G.
    Solomon, K. Anand
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1330 - U2067
  • [44] Contribution of microwaves in organic synthesis:: statement of a methodology for the microwave-induced preparation of benzofuran-2(3H)-one and its comparison with classical heating
    Goncalo, P
    Roussel, C
    Mélot, JM
    Vébrel, J
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1999, (10): : 2111 - 2115
  • [45] SYNTHESIS AND PHARMACOLOGICAL EVALUATION OF A CLOFIBRATE-RELATED TRICYCLIC SPIROLACTONE, 5-CHLORO-4',5'-DIHYDROSPIRO[BENZOFURAN-2(3H),3'(2'H)-FURAN]-2'-ONE
    WITIAK, DT
    CAVESTRI, RC
    NEWMAN, HAI
    BALDWIN, JR
    SOBER, CL
    FELLER, DR
    JOURNAL OF MEDICINAL CHEMISTRY, 1978, 21 (12) : 1198 - 1202
  • [46] 3-(2-Aminoethyl)-2-(4-fluoroanilino)quinazolin-4(3H)-one
    Yang, Xu-Hong
    Wu, Ming-Hu
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O2240 - U3088
  • [47] 2-(4-Chloroanilino)-3-(2-hydroxyethyl)quinazolin-4(3H)-one
    Wang, Hong-Ling
    Yang, Xu-Hong
    Wu, Ming-Hu
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O2325 - U2201
  • [48] 2-(4-Fluoroanilino)-3-(2-hydroxyethyl)quinazolin-4(3H)-one
    Zhang, Qian
    Jiao, Yuan-Hong
    Liu, Bin
    Chen, Xue-Mei
    Ruan, Min
    Xu, Ling-Hua
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O638 - U2867
  • [49] 3-(2-Hydroxyethyl)-2-(p-tolylamino)-quinazolin-4(3H)-one
    Zhang, Gui-Fu
    Ma, Zuan
    Yang, Xu-Hong
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O34 - U1575
  • [50] Can Water Trigger Room-Temperature Formation of Benzofuran-2(3H)-one Scaffolds From Vinyldiazene Derivatives? Computational Insights Into an Unusual Cyclization
    Askerova, Ulviyya
    Abdullayev, Yusif
    Shikhaliyev, Namiq
    Talybov, Avtandil
    Autschbach, Jochen
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2025, 46 (10)