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Isosorbide-2-benzylcarbamate-5-benzyl-ether

General

Type : Isosorbide,Carbamate

Chemical_Nomenclature : [(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-benzylcarbamate

Canonical SMILES : C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI : InChI=1S\/C21H23NO5\/c23-21(22-11-15-7-3-1-4-8-15)27-18-14-26-19-17(13-25-20(18)19)24-12-16-9-5-2-6-10-16\/h1-10,17-20H,11-14H2,(H,22,23)\/t17-,18+,19-,20-\/m1\/s1

InChIKey : ROBGGBFLUNTBTH-IYWMVGAKSA-N

Other name(s) : CHEMBL601889,BDBM50306692,2-(Benzylaminocarbonyloxy)-5-O-benzyl-1,4:3,6-dianhydro-D-glucitol,18a

MW : 369.41

Formula : C21H23NO5

CAS_number :

PubChem : 46232813

UniChem : ROBGGBFLUNTBTH-IYWMVGAKSA-N

Target

Families : Isosorbide-2-benzylcarbamate-5-benzyl-ether ligand of proteins in family
BCHE

Protein :
human-BCHE

References (1)

Title : Isosorbide-based cholinesterase inhibitors\; replacement of 5-ester groups leading to increased stability - Dillon_2010_Bioorg.Med.Chem_18_1045
Author(s) : Dillon GP , Gaynor JM , Khan D , Carolan CG , Ryder SA , Marquez JF , Reidy S , Gilmer JF
Ref : Bioorganic & Medicinal Chemistry , 18 :1045 , 2010
Abstract : Dillon_2010_Bioorg.Med.Chem_18_1045
ESTHER : Dillon_2010_Bioorg.Med.Chem_18_1045
PubMedSearch : Dillon_2010_Bioorg.Med.Chem_18_1045
PubMedID: 20093035 
Array
(
    [id] => 5826
    [inhibitor] => Isosorbide-2-benzylcarbamate-5-benzyl-ether
    [type] => Array
        (
            [0] => Isosorbide
            [1] => Carbamate
        )

    [other_name] => Array
        (
            [0] => CHEMBL601889
            [1] => BDBM50306692
            [2] => 2-(Benzylaminocarbonyloxy)-5-O-benzyl-1,4:3,6-dianhydro-D-glucitol
            [3] => 18a
        )

    [chemical_nomenclature] => [(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-benzylcarbamate
    [formula] => C21H23NO5
    [cas_number] => 
    [mw] => 369.41
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Dillon_2010_Bioorg.Med.Chem_18_1045
    [comment] => 
    [gene_locus] => human-BCHE
    [kin_inhibitor] => 
    [cid] => 46232813
    [family] => BCHE
    [inchikey] => ROBGGBFLUNTBTH-IYWMVGAKSA-N
    [canonicalsmiles] => C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OCC4=CC=CC=C4
    [inchi] => InChI=1S\/C21H23NO5\/c23-21(22-11-15-7-3-1-4-8-15)27-18-14-26-19-17(13-25-20(18)19)24-12-16-9-5-2-6-10-16\/h1-10,17-20H,11-14H2,(H,22,23)\/t17-,18+,19-,20-\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)