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LASSBio-822

derived from the natural piperidine alkaloid (-)-spectaline, obtained from the flowers of Senna spectabilis (Fabaceae)

General

Type : Natural,Derivative of Spectaline,Piperidine,tert-Butyl

Chemical_Nomenclature : tert-butyl [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate

Canonical SMILES : CC1C(CCC(N1)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C

InChI : InChI=1S\/C25H47NO4\/c1-20(27)16-14-12-10-8-6-7-9-11-13-15-17-22-18-19-23(21(2)26-22)29-24(28)30-25(3,4)5\/h21-23,26H,6-19H2,1-5H3\/t21-,22+,23-\/m1\/s1

InChIKey : HGUBSUVMPCCXIF-XPWALMASSA-N

Other name(s) : (-)-3-O-tert-Boc-spectaline,(?)-3-O-Boc-Spectaline,CHEMBL3139212

MW : 425.65

Formula : C25H47NO4

CAS_number :

PubChem : 24808629

UniChem : HGUBSUVMPCCXIF-XPWALMASSA-N

Target

Families : LASSBio-822 ligand of proteins in family
ACHE

References (4)

Title : CNS-selective noncompetitive cholinesterase inhibitors derived from the natural piperidine alkaloid (-)-spectaline - Castro_2008_Eur.J.Pharmacol_580_339
Author(s) : Castro NG , Costa RS , Pimentel LS , Danuello A , Romeiro NC , Viegas C, Jr. , Barreiro EJ , Fraga CA , Bolzani VS , Rocha MS
Ref : European Journal of Pharmacology , 580 :339 , 2008
Abstract : Castro_2008_Eur.J.Pharmacol_580_339
ESTHER : Castro_2008_Eur.J.Pharmacol_580_339
PubMedSearch : Castro_2008_Eur.J.Pharmacol_580_339
PubMedID: 18096154

Title : New selective acetylcholinesterase inhibitors designed from natural piperidine alkaloids - Viegas_2005_Bioorg.Med.Chem_13_4184
Author(s) : Viegas C, Jr. , Bolzani VS , Pimentel LS , Castro NG , Cabral RF , Costa RS , Floyd C , Rocha MS , Young MC , Barreiro EJ , Fraga CA
Ref : Bioorganic & Medicinal Chemistry , 13 :4184 , 2005
Abstract : Viegas_2005_Bioorg.Med.Chem_13_4184
ESTHER : Viegas_2005_Bioorg.Med.Chem_13_4184
PubMedSearch : Viegas_2005_Bioorg.Med.Chem_13_4184
PubMedID: 15878668

Title : New anti-Alzheimer drugs from biodiversity: the role of the natural acetylcholinesterase inhibitors - Viegas_2005_Mini.Rev.Med.Chem_5_915
Author(s) : Viegas C, Jr. , Bolzani Vda S , Barreiro EJ , Fraga CA
Ref : Mini Rev Med Chem , 5 :915 , 2005
Abstract : Viegas_2005_Mini.Rev.Med.Chem_5_915
ESTHER : Viegas_2005_Mini.Rev.Med.Chem_5_915
PubMedSearch : Viegas_2005_Mini.Rev.Med.Chem_5_915
PubMedID: 16250834

Title : Further bioactive piperidine alkaloids from the flowers and green fruits of Cassia spectabilis - Viegas_2004_J.Nat.Prod_67_908
Author(s) : Viegas C, Jr. , da SBV , Furlan M , Barreiro EJ , Young MC , Tomazela D , Eberlin MN
Ref : Journal of Natural Products , 67 :908 , 2004
Abstract : Viegas_2004_J.Nat.Prod_67_908
ESTHER : Viegas_2004_J.Nat.Prod_67_908
PubMedSearch : Viegas_2004_J.Nat.Prod_67_908
PubMedID: 15165164 
Array
(
    [id] => 3447
    [inhibitor] => LASSBio-822
    [type] => Array
        (
            [0] => Natural
            [1] => Derivative of Spectaline
            [2] => Piperidine
            [3] => tert-Butyl
        )

    [other_name] => Array
        (
            [0] => (-)-3-O-tert-Boc-spectaline
            [1] => (?)-3-O-Boc-Spectaline
            [2] => CHEMBL3139212
        )

    [chemical_nomenclature] => tert-butyl [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate
    [formula] => C25H47NO4
    [cas_number] => 
    [mw] => 425.65
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Viegas_2005_Bioorg.Med.Chem_13_4184 || Castro_2008_Eur.J.Pharmacol_580_339 || Viegas_2004_J.Nat.Prod_67_908 || Viegas_2005_Mini.Rev.Med.Chem_5_915
    [comment] => derived from the natural piperidine alkaloid (-)-spectaline, obtained from the flowers of Senna spectabilis (Fabaceae)
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 24808629
    [family] => ACHE
    [inchikey] => HGUBSUVMPCCXIF-XPWALMASSA-N
    [canonicalsmiles] => CC1C(CCC(N1)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C
    [inchi] => InChI=1S\/C25H47NO4\/c1-20(27)16-14-12-10-8-6-7-9-11-13-15-17-22-18-19-23(21(2)26-22)29-24(28)30-25(3,4)5\/h21-23,26H,6-19H2,1-5H3\/t21-,22+,23-\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)