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SB-222657

General

Type : Sulfur Compound,Azetidin

Chemical_Nomenclature : 2-[(2R)-2-benzylsulfinyl-4-oxoazetidin-1-yl]-N-[6-(4-chlorophenyl)hexyl]acetamide

Canonical SMILES : C1C(N(C1=O)CC(=O)NCCCCCCC2=CC=C(C=C2)Cl)S(=O)CC3=CC=CC=C3

InChI : InChI=1S\/C24H29ClN2O3S\/c25-21-13-11-19(12-14-21)8-4-1-2-7-15-26-22(28)17-27-23(29)16-24(27)31(30)18-20-9-5-3-6-10-20\/h3,5-6,9-14,24H,1-2,4,7-8,15-18H2,(H,26,28)\/t24-,31?\/m1\/s1

InChIKey : NFWKWTNTFQLUBE-LZDHLTRGSA-N

Other name(s) : SCHEMBL8442091

MW : 461.0

Formula : C24H29ClN2O3S

CAS_number :

PubChem : 10344255

UniChem : NFWKWTNTFQLUBE-LZDHLTRGSA-N

Target

Families : SB-222657 ligand of proteins in family
PAF-Acetylhydrolase

Protein :
human-PLA2G7

References (3)

Title : 2-(Alkylthio)pyrimidin-4-ones as novel, reversible inhibitors of lipoprotein-associated phospholipase A2 - Boyd_2000_Bioorg.Med.Chem.Lett_10_395
Author(s) : Boyd HF , Flynn ST , Hickey DM , Ife RJ , Jones M , Leach CA , Macphee CH , Milliner KJ , Rawlings DA , Slingsby BP , Smith SA , Stansfield IG , Tew DG , Theobald CJ
Ref : Bioorganic & Medicinal Chemistry Lett , 10 :395 , 2000
Abstract : Boyd_2000_Bioorg.Med.Chem.Lett_10_395
ESTHER : Boyd_2000_Bioorg.Med.Chem.Lett_10_395
PubMedSearch : Boyd_2000_Bioorg.Med.Chem.Lett_10_395
PubMedID: 10714508

Title : Lipoprotein-associated phospholipase A2, platelet-activating factor acetylhydrolase, generates two bioactive products during the oxidation of low-density lipoprotein: use of a novel inhibitor - MacPhee_1999_Biochem.J_338 ( Pt 2)_479
Author(s) : Macphee CH , Moores KE , Boyd HF , Dhanak D , Ife RJ , Leach CA , Leake DS , Milliner KJ , Patterson RA , Suckling KE , Tew DG , Hickey DM
Ref : Biochemical Journal , 338 ( Pt 2) :479 , 1999
Abstract : MacPhee_1999_Biochem.J_338 ( Pt 2)_479
ESTHER : MacPhee_1999_Biochem.J_338 ( Pt 2)_479
PubMedSearch : MacPhee_1999_Biochem.J_338 ( Pt 2)_479
PubMedID: 10024526

Title : Mechanism of inhibition of LDL phospholipase A2 by monocyclic-beta-lactams. Burst kinetics and the effect of stereochemistry - Tew_1998_Biochemistry_37_10087
Author(s) : Tew DG , Boyd HF , Ashman S , Theobald C , Leach CA
Ref : Biochemistry , 37 :10087 , 1998
Abstract : Tew_1998_Biochemistry_37_10087
ESTHER : Tew_1998_Biochemistry_37_10087
PubMedSearch : Tew_1998_Biochemistry_37_10087
PubMedID: 9665713 
Array
(
    [id] => 1146
    [inhibitor] => SB-222657
    [type] => Array
        (
            [0] => Sulfur Compound
            [1] => Azetidin
        )

    [other_name] => Array
        (
            [0] => SCHEMBL8442091
        )

    [chemical_nomenclature] => 2-[(2R)-2-benzylsulfinyl-4-oxoazetidin-1-yl]-N-[6-(4-chlorophenyl)hexyl]acetamide
    [formula] => C24H29ClN2O3S
    [cas_number] => 
    [mw] => 461.0
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => MacPhee_1999_Biochem.J_338 ( Pt 2)_479 || Tew_1998_Biochemistry_37_10087 || Boyd_2000_Bioorg.Med.Chem.Lett_10_395
    [comment] => 
    [gene_locus] => human-PLA2G7
    [kin_inhibitor] => 
    [cid] => 10344255
    [family] => PAF-Acetylhydrolase
    [inchikey] => NFWKWTNTFQLUBE-LZDHLTRGSA-N
    [canonicalsmiles] => C1C(N(C1=O)CC(=O)NCCCCCCC2=CC=C(C=C2)Cl)S(=O)CC3=CC=CC=C3
    [inchi] => InChI=1S\/C24H29ClN2O3S\/c25-21-13-11-19(12-14-21)8-4-1-2-7-15-26-22(28)17-27-23(29)16-24(27)31(30)18-20-9-5-3-6-10-20\/h3,5-6,9-14,24H,1-2,4,7-8,15-18H2,(H,26,28)\/t24-,31?\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)