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Methylene-blue-carboline-2

Conjugates of methylene blue with gamma-carboline derivatives (Dimebon). Latrepirdine Dimebon tricyclic H1-antihistamine has been investigated for the treatment of Alzheimer's Disease and Huntington's Disease. The conjugate of Dimebon derivative and methylene blue 2 is represented here

General

Type : Dye,Multitarget,Indole,Phenothiazine,beta-carboline,Sulfur Compound

Chemical_Nomenclature : 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]-3-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-1-one

Canonical SMILES : CCN1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C

InChI : InChI=1S\/C32H37N5OS\/c1-6-35-17-15-27-25(21-35)24-9-7-8-10-26(24)36(27)18-16-32(38)37-28-13-11-22(33(2)3)19-30(28)39-31-20-23(34(4)5)12-14-29(31)37\/h7-14,19-20H,6,15-18,21H2,1-5H3

InChIKey : ZROLWSKEMTZKCM-UHFFFAOYSA-N

Other name(s) :

MW : 539.74

Formula : C32H37N5OS

CAS_number :

PubChem : 129766372

UniChem : ZROLWSKEMTZKCM-UHFFFAOYSA-N

Target

Families : Methylene-blue-carboline-2 ligand of proteins in family
ACHE BCHE Cholinesterase

References (1)

Title : Conjugates of methylene blue with gamma-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases - Bachurin_2019_Sci.Rep_9_4873
Author(s) : Bachurin SO , Makhaeva GF , Shevtsova EF , Boltneva NP , Kovaleva NV , Lushchekina SV , Rudakova EV , Dubova LG , Vinogradova DV , Sokolov VB , Aksinenko AY , Fisenko VP , Richardson RJ , Aliev G
Ref : Sci Rep , 9 :4873 , 2019
Abstract : Bachurin_2019_Sci.Rep_9_4873
ESTHER : Bachurin_2019_Sci.Rep_9_4873
PubMedSearch : Bachurin_2019_Sci.Rep_9_4873
PubMedID: 30890752 
Array
(
    [id] => 2463
    [inhibitor] => Methylene-blue-carboline-2
    [type] => Array
        (
            [0] => Dye
            [1] => Multitarget
            [2] => Indole
            [3] => Phenothiazine
            [4] => beta-carboline
            [5] => Sulfur Compound
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]-3-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-1-one
    [formula] => C32H37N5OS
    [cas_number] => 
    [mw] => 539.74
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Bachurin_2019_Sci.Rep_9_4873
    [comment] => Conjugates of methylene blue with gamma-carboline derivatives (Dimebon). Latrepirdine Dimebon tricyclic H1-antihistamine has been investigated for the treatment of Alzheimer's Disease and Huntington's Disease. The conjugate of Dimebon derivative and methylene blue 2 is represented here
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 129766372
    [family] => ACHE || BCHE || Cholinesterase
    [inchikey] => ZROLWSKEMTZKCM-UHFFFAOYSA-N
    [canonicalsmiles] => CCN1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C
    [inchi] => InChI=1S\/C32H37N5OS\/c1-6-35-17-15-27-25(21-35)24-9-7-8-10-26(24)36(27)18-16-32(38)37-28-13-11-22(33(2)3)19-30(28)39-31-20-23(34(4)5)12-14-29(31)37\/h7-14,19-20H,6,15-18,21H2,1-5H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)