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AZ12756122

exemple 117 from WO2008075070A1, synthesized at AstraZeneca Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors

General

Type : Sulfonamide,Piperidine,Cyanide,Sulfur Compound

Chemical_Nomenclature : N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]propane-1-sulfonamide

Canonical SMILES : CCCS(=O)(=O)NC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)C)C

InChI : InChI=1S\/C24H29N3O3S\/c1-4-13-31(29,30)26-23-15-22(17(2)14-18(23)3)24(28)27-11-9-21(10-12-27)20-7-5-19(16-25)6-8-20\/h5-8,14-15,21,26H,4,9-13H2,1-3H3

InChIKey : KMMFOIYEUUZOOG-UHFFFAOYSA-N

Other name(s) : SCHEMBL4175642

MW : 439.6

Formula : C24H29N3O3S

CAS_number :

PubChem : 57666876

UniChem : KMMFOIYEUUZOOG-UHFFFAOYSA-N

Target

Families : AZ12756122 ligand of proteins in family
Thioesterase

Protein :
human-FASN

References (2)

Title : AZ12756122, a novel fatty acid synthase inhibitor, decreases resistance features in EGFR-TKI resistant EGFR-mutated NSCLC cell models - Polonio-Alcala_2022_Biomed.Pharmacother_156_113942
Author(s) : Polonio-Alcala E , Porta R , Ruiz-Martinez S , Vasquez-Dongo C , Relat J , Bosch-Barrera J , Ciurana J , Puig T
Ref : Biomed Pharmacother , 156 :113942 , 2022
Abstract : Polonio-Alcala_2022_Biomed.Pharmacother_156_113942
ESTHER : Polonio-Alcala_2022_Biomed.Pharmacother_156_113942
PubMedSearch : Polonio-Alcala_2022_Biomed.Pharmacother_156_113942
PubMedID: 36411628

Title : Interaction between hormone-sensitive lipase and ChREBP in fat cells controls insulin sensitivity - Morigny_2019_Nat.Metab_1_133
Author(s) : Morigny P , Houssier M , Mairal A , Ghilain C , Mouisel E , Benhamed F , Masri B , Recazens E , Denechaud PD , Tavernier G , Caspar-Bauguil S , Virtue S , Sramkova V , Monbrun L , Mazars A , Zanoun M , Guilmeau S , Barquissau V , Beuzelin D , Bonnel S , Marques M , Monge-Roffarello B , Lefort C , Fielding B , Sulpice T , Astrup A , Payrastre B , Bertrand-Michel J , Meugnier E , Ligat L , Lopez F , Guillou H , Ling C , Holm C , Rabasa-Lhoret R , Saris WHM , Stich V , Arner P , Ryden M , Moro C , Viguerie N , Harms M , Hallen S , Vidal-Puig A , Vidal H , Postic C , Langin D
Ref : Nat Metab , 1 :133 , 2019
Abstract : Morigny_2019_Nat.Metab_1_133
ESTHER : Morigny_2019_Nat.Metab_1_133
PubMedSearch : Morigny_2019_Nat.Metab_1_133
PubMedID: 32694809 
Array
(
    [id] => 759
    [inhibitor] => AZ12756122
    [type] => Array
        (
            [0] => Sulfonamide
            [1] => Piperidine
            [2] => Cyanide
            [3] => Sulfur Compound
        )

    [other_name] => Array
        (
            [0] => SCHEMBL4175642
        )

    [chemical_nomenclature] => N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]propane-1-sulfonamide
    [formula] => C24H29N3O3S
    [cas_number] => 
    [mw] => 439.6
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Morigny_2019_Nat.Metab_1_133 || Polonio-Alcala_2022_Biomed.Pharmacother_156_113942
    [comment] => exemple 117 from WO2008075070A1, synthesized at AstraZeneca Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors
    [gene_locus] => human-FASN
    [kin_inhibitor] => 
    [cid] => 57666876
    [family] => Thioesterase
    [inchikey] => KMMFOIYEUUZOOG-UHFFFAOYSA-N
    [canonicalsmiles] => CCCS(=O)(=O)NC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)C)C
    [inchi] => InChI=1S\/C24H29N3O3S\/c1-4-13-31(29,30)26-23-15-22(17(2)14-18(23)3)24(28)27-11-9-21(10-12-27)20-7-5-19(16-25)6-8-20\/h5-8,14-15,21,26H,4,9-13H2,1-3H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)