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Bis-Thiazolidinone-Based-20

ACHE IC50 = 0.070 +/-0.050 microM, BCHE IC50 = 0.10+/-0.050 microM

General

Type : Thiazolidine,Sulfur Compound

Chemical_Nomenclature : 2-((4-oxo-5-((E)-2,3,4-trihydroxybenzylidene)thiazolidin-2-ylidene)hydrazono)-5-((E)-3,4,5-trihydroxybenzylidene)thiazolidin-4-one

Canonical SMILES : C3(=NN=C1NC(C(S1)=CC2=CC=C(C(=C2O)O)O)=O)SC(C(N3)=O)=CC4=C(C(=C(C=C4)O)O)O

InChI : InChI=1S\/C20H14N4O8S2\/c25-9-3-1-7(13(27)15(9)29)5-11-17(31)21-19(33-11)23-24-20-22-18(32)12(34-20)6-8-2-4-10(26)16(30)14(8)28\/h1-6,25-30H,(H,21,23,31)(H,22,24,32)\/b11-5-,12-6+

InChIKey : MSQZMILSECVAJQ-JTAXDKCCSA-N

Other name(s) :

MW : 502.47

Formula : C20H14N4O8S2

CAS_number :

PubChem :

UniChem : MSQZMILSECVAJQ-JTAXDKCCSA-N

Target

Families : Bis-Thiazolidinone-Based-20 ligand of proteins in family
ACHE BCHE

References (1)

Title : New bis-thiazolidinone based chalcone analogues as effective inhibitors of Alzheimer's disease: Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase study - Hussain_2022_Chem.Biodivers__
Author(s) : Hussain R , Rahim F , Rehman W , Taha M , Khan S , Zaman K , Ali Shah SA , Wadood A , Imran S , Abdellatif M
Ref : Chem Biodivers , : , 2022
Abstract : Hussain_2022_Chem.Biodivers__
ESTHER : Hussain_2022_Chem.Biodivers__
PubMedSearch : Hussain_2022_Chem.Biodivers__
PubMedID: 35997224 
Array
(
    [id] => 606
    [inhibitor] => Bis-Thiazolidinone-Based-20
    [type] => Array
        (
            [0] => Thiazolidine
            [1] => Sulfur Compound
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 2-((4-oxo-5-((E)-2,3,4-trihydroxybenzylidene)thiazolidin-2-ylidene)hydrazono)-5-((E)-3,4,5-trihydroxybenzylidene)thiazolidin-4-one
    [formula] => C20H14N4O8S2
    [cas_number] => 
    [mw] => 502.47
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Hussain_2022_Chem.Biodivers__
    [comment] =>  ACHE IC50 = 0.070 +\/-0.050 microM, BCHE IC50 = 0.10+\/-0.050 microM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE || BCHE
    [inchikey] => MSQZMILSECVAJQ-JTAXDKCCSA-N
    [canonicalsmiles] => C3(=NN=C1NC(C(S1)=CC2=CC=C(C(=C2O)O)O)=O)SC(C(N3)=O)=CC4=C(C(=C(C=C4)O)O)O
    [inchi] => InChI=1S\/C20H14N4O8S2\/c25-9-3-1-7(13(27)15(9)29)5-11-17(31)21-19(33-11)23-24-20-22-18(32)12(34-20)6-8-2-4-10(26)16(30)14(8)28\/h1-6,25-30H,(H,21,23,31)(H,22,24,32)\/b11-5-,12-6+
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)