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JJH221

Broad spectrum inhibitor of serine hydrolases ABHD6, MGLL, ABHD4, ABHD12, PLA2G15, PNPLA4

General

Type : Carbamate,Piperidine,N-hydroxyhydantoin,tert-Butyloxycarbonyl,tert-Butyl

Chemical_Nomenclature : tert-butyl 2-[4-[2-(4-chlorophenyl)ethyl]piperidine-1-carbonyl]oxy-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

Canonical SMILES : CC(C)(C)OC(=O)N1CCN2C(C1)C(=O)N(C2=O)OC(=O)N3CCC(CC3)CCC4=CC=C(C=C4)Cl

InChI : InChI=1S\/C25H33ClN4O6\/c1-25(2,3)35-23(33)28-14-15-29-20(16-28)21(31)30(22(29)32)36-24(34)27-12-10-18(11-13-27)5-4-17-6-8-19(26)9-7-17\/h6-9,18,20H,4-5,10-16H2,1-3H3

InChIKey : AZRWYMZCYCWVSN-UHFFFAOYSA-N

Other name(s) : SCHEMBL17275305,SR-02000002572,SR-02000002572-1

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MW : 521.0

Formula : C25H33ClN4O6

CAS_number :

PubChem : 71710925

UniChem : AZRWYMZCYCWVSN-UHFFFAOYSA-N

Target

References (1)

1. Selective N-Hydroxyhydantoin Carbamate Inhibitors of Mammalian Serine Hydrolases

Title : Selective N-Hydroxyhydantoin Carbamate Inhibitors of Mammalian Serine Hydrolases - Cognetta_2015_Chem.Biol_22_928

Author(s) : Cognetta AB, 3rd , Niphakis MJ , Lee HC , Martini ML , Hulce JJ , Cravatt BF

Ref : Chemical Biology , 22 :928 , 2015

Abstract : Cognetta_2015_Chem.Biol_22_928

ESTHER : Cognetta_2015_Chem.Biol_22_928

PubMedSearch : Cognetta_2015_Chem.Biol_22_928

PubMedID: 26120000

Array
(
    [id] => 1839
    [inhibitor] => JJH221
    [type] => Array
        (
            [0] => Carbamate
            [1] => Piperidine
            [2] => N-hydroxyhydantoin
            [3] => tert-Butyloxycarbonyl
            [4] => tert-Butyl
        )

    [other_name] => Array
        (
            [0] => SCHEMBL17275305
            [1] => SR-02000002572
            [2] => SR-02000002572-1
        )

    [chemical_nomenclature] => tert-butyl 2-[4-[2-(4-chlorophenyl)ethyl]piperidine-1-carbonyl]oxy-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
    [formula] => C25H33ClN4O6
    [cas_number] => 
    [mw] => 521.0
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Cognetta_2015_Chem.Biol_22_928
    [comment] => Broad spectrum inhibitor of serine hydrolases ABHD6, MGLL, ABHD4, ABHD12, PLA2G15, PNPLA4
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 71710925
    [family] => 
    [inchikey] => AZRWYMZCYCWVSN-UHFFFAOYSA-N
    [canonicalsmiles] => CC(C)(C)OC(=O)N1CCN2C(C1)C(=O)N(C2=O)OC(=O)N3CCC(CC3)CCC4=CC=C(C=C4)Cl
    [inchi] => InChI=1S\/C25H33ClN4O6\/c1-25(2,3)35-23(33)28-14-15-29-20(16-28)21(31)30(22(29)32)36-24(34)27-12-10-18(11-13-27)5-4-17-6-8-19(26)9-7-17\/h6-9,18,20H,4-5,10-16H2,1-3H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)