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AS115

racemic AS 115 is a potent and selective inactivator of human-NCEH1 (KIAA1363, AADACL1), displaying an IC50 value of 150 nM

General

Type : Carbamate

Chemical_Nomenclature : (2-fluorophenyl) N-[2-[[2-(butoxymethyl)cyclohexyl]methoxy]ethyl]carbamate

Canonical SMILES : CCCCOCC1CCCCC1COCCNC(=O)OC2=CC=CC=C2F

InChI : InChI=1S\/C21H32FNO4\/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22\/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)

InChIKey : BTYYXSHZANWPEB-UHFFFAOYSA-N

Other name(s) : CHEMBL2069333,C21H32FNO4,1002AH,BDBM50390508,ZINC44606711,SCHEMBL13912213,LP047347,(+)-AS 115,(-)-AS 115

MW : 381.48

Formula : C21H32FNO4

CAS_number : 926657-43-4

PubChem : 52204060, 24897074

UniChem : BTYYXSHZANWPEB-UHFFFAOYSA-N

Target

Families : AS115 ligand of proteins in family
Arylacetamide_deacetylase

References (1)

Title : An enzyme that regulates ether lipid signaling pathways in cancer annotated by multidimensional profiling - Chiang_2006_Chem.Biol_13_1041
Author(s) : Chiang KP , Niessen S , Saghatelian A , Cravatt BF
Ref : Chemical Biology , 13 :1041 , 2006
Abstract : Chiang_2006_Chem.Biol_13_1041
ESTHER : Chiang_2006_Chem.Biol_13_1041
PubMedSearch : Chiang_2006_Chem.Biol_13_1041
PubMedID: 17052608
Gene_locus related to this paper: human-NCEH1 , mouse-Q8BLF1 
Array
(
    [id] => 4203
    [inhibitor] => AS115
    [type] => Array
        (
            [0] => Carbamate
        )

    [other_name] => Array
        (
            [0] => CHEMBL2069333
            [1] => C21H32FNO4
            [2] => 1002AH
            [3] => BDBM50390508
            [4] => ZINC44606711
            [5] => SCHEMBL13912213
            [6] => LP047347
            [7] => (+)-AS 115
            [8] => (-)-AS 115
        )

    [chemical_nomenclature] => (2-fluorophenyl) N-[2-[[2-(butoxymethyl)cyclohexyl]methoxy]ethyl]carbamate
    [formula] => C21H32FNO4
    [cas_number] => 926657-43-4
    [mw] => 381.48
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Chiang_2006_Chem.Biol_13_1041
    [comment] => racemic AS 115 is a potent and selective inactivator of human-NCEH1 (KIAA1363, AADACL1), displaying an IC50 value of 150 nM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 52204060 || 24897074
    [family] => Arylacetamide_deacetylase
    [inchikey] => BTYYXSHZANWPEB-UHFFFAOYSA-N
    [canonicalsmiles] => CCCCOCC1CCCCC1COCCNC(=O)OC2=CC=CC=C2F
    [inchi] => InChI=1S\/C21H32FNO4\/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22\/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)