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Methylene-Violet-3RAX

3-Amino-7-diethylamino-5-phenylphenazin-5-ium is the parent compound CID 2733868 || hyperbolic noncompetitive inhibitor of AChE with Ki value of 1.58+/-0.36muM; alpha=1; beta=0.12+/-0.0003. Caused linear competitive inhibition of BChE with Ki value of 0.51+/-0.006muM

General

Type : Dye

Chemical_Nomenclature : 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine\;chloride

Canonical SMILES : CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]

InChI : InChI=1S\/C22H22N4.ClH\/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20\;\/h5-15,23H,3-4H2,1-2H3\;1H

InChIKey : MOVNSGGBTSIUGX-UHFFFAOYSA-N

Other name(s) : Methylene Violet 3RAX,3-amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride,N,N-Diethylphenosafranine,MFCD00013433,Diethyl safranine,Diethylsafranine,SCHEMBL930666,CHEMBL1457403,SCHEMBL3130463,CHEMBL1621499,SCHEMBL20329168

MW : 378.9

Formula : C22H23ClN4

CAS_number : 4569-86-2

PubChem :

UniChem : MOVNSGGBTSIUGX-UHFFFAOYSA-N

Target

Families : Methylene-Violet-3RAX ligand of proteins in family
ACHE BCHE

References (1)

Title : The kinetics of inhibition of human acetylcholinesterase and butyrylcholinesterase by methylene violet 3RAX - Onder_2019_Chem.Biol.Interact_314_108845
Author(s) : Onder S , Biberoglu K , Tacal O
Ref : Chemico-Biological Interactions , 314 :108845 , 2019
Abstract : Onder_2019_Chem.Biol.Interact_314_108845
ESTHER : Onder_2019_Chem.Biol.Interact_314_108845
PubMedSearch : Onder_2019_Chem.Biol.Interact_314_108845
PubMedID: 31593690 
Array
(
    [id] => 3954
    [inhibitor] => Methylene-Violet-3RAX
    [type] => Array
        (
            [0] => Dye
        )

    [other_name] => Array
        (
            [0] => Methylene Violet 3RAX
            [1] => 3-amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride
            [2] => N,N-Diethylphenosafranine
            [3] => MFCD00013433
            [4] => Diethyl safranine
            [5] => Diethylsafranine
            [6] => SCHEMBL930666
            [7] => CHEMBL1457403
            [8] => SCHEMBL3130463
            [9] => CHEMBL1621499
            [10] => SCHEMBL20329168
        )

    [chemical_nomenclature] => 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine\;chloride
    [formula] => C22H23ClN4
    [cas_number] => 4569-86-2
    [mw] => 378.9
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Onder_2019_Chem.Biol.Interact_314_108845
    [comment] => 3-Amino-7-diethylamino-5-phenylphenazin-5-ium is the parent compound CID 2733868 || hyperbolic noncompetitive inhibitor of AChE with Ki value of 1.58+\/-0.36muM\; alpha=1\; beta=0.12+\/-0.0003. Caused linear competitive inhibition of BChE with Ki value of 0.51+\/-0.006muM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE || BCHE
    [inchikey] => MOVNSGGBTSIUGX-UHFFFAOYSA-N
    [canonicalsmiles] => CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]
    [inchi] => InChI=1S\/C22H22N4.ClH\/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20\;\/h5-15,23H,3-4H2,1-2H3\;1H
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)