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FEPAD

IC50 values for hMAGL-expressing cell lines 77.6 +/- 9.2 nM and recombinant hMAGL 23.8 +/- 4.9 nM. A superior to 100-fold selectivity over other major serine hydrolases, including FAAH, ABHD6, ABHD12, and KIAA1363, and CB1/CB2 receptors. F-18 labeled radioligand [18F]FEPAD is a PET probe for non-invasive assessment of MAGL brown adipose tissue

General

Type : Piperazine,Azetidin,Trifluoro,Thiazolidine,Sulfur Compound,PET probe

Chemical_Nomenclature : (4-(1-(4'-chloro-2-(2-fluoroethoxy)-3'-(trifluoromethyl)-[1,1'-biphenyl]-4- carbonyl)azetidin-3-yl)piperazin -1-yl)(thiazol-2-yl)methanone

Canonical SMILES : C1CN(CCN1C2CN(C2)C(=O)C3=CC=C(C(=C3)OCCF)C4=CC=C(C(=C4)C(F)(F)F)Cl)C(C5=NC=CS5)=O

InChI : InChI=1S\/C27H25ClF4N4O3S\/c28-22-4-2-17(13-21(22)27(30,31)32)20-3-1-18(14-23(20)39-11-5-29)25(37)36-15-19(16-36)34-7-9-35(10-8-34)26(38)24-33-6-12-40-24\/h1-4,6,12-14,19H,5,7-11,15-16H2

InChIKey : CUWKHRITMRZSAU-UHFFFAOYSA-N

Other name(s) :

MW : 597.O2

Formula : C27H25ClF4N4O3S

CAS_number :

PubChem :

UniChem : CUWKHRITMRZSAU-UHFFFAOYSA-N

Target

Families : FEPAD ligand of proteins in family
Monoglyceridelipase_lysophospholip

Protein :
human-MGLL

References (1)

Title : A novel monoacylglycerol lipase-targeted (18)F-labeled probe for positron emission tomography imaging of brown adipose tissue in the energy network - Cheng_2022_Acta.Pharmacol.Sin__
Author(s) : Cheng R , Fujinaga M , Yang J , Rong J , Haider A , Ogasawara D , Van RS , Shao T , Chen Z , Zhang X , Calderon Leon ER , Zhang Y , Mori W , Kumata K , Yamasaki T , Xie L , Sun S , Wang L , Ran C , Shao Y , Cravatt B , Josephson L , Zhang MR , Liang SH
Ref : Acta Pharmacol Sin , : , 2022
Abstract : Cheng_2022_Acta.Pharmacol.Sin__
ESTHER : Cheng_2022_Acta.Pharmacol.Sin__
PubMedSearch : Cheng_2022_Acta.Pharmacol.Sin__
PubMedID: 35513432
Gene_locus related to this paper: human-MGLL 
Array
(
    [id] => 990
    [inhibitor] => FEPAD
    [type] => Array
        (
            [0] => Piperazine
            [1] => Azetidin
            [2] => Trifluoro
            [3] => Thiazolidine
            [4] => Sulfur Compound
            [5] => PET probe
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => (4-(1-(4'-chloro-2-(2-fluoroethoxy)-3'-(trifluoromethyl)-[1,1'-biphenyl]-4- carbonyl)azetidin-3-yl)piperazin -1-yl)(thiazol-2-yl)methanone 
    [formula] => C27H25ClF4N4O3S
    [cas_number] => 
    [mw] => 597.O2
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Cheng_2022_Acta.Pharmacol.Sin__
    [comment] => IC50 values for hMAGL-expressing cell lines  77.6 +\/- 9.2 nM and recombinant hMAGL 23.8 +\/-  4.9 nM. A superior to 100-fold selectivity over other major serine hydrolases, including FAAH, ABHD6, ABHD12, and KIAA1363, and CB1\/CB2 receptors. F-18 labeled radioligand [18F]FEPAD is a PET probe for non-invasive assessment of MAGL brown adipose tissue
    [gene_locus] => human-MGLL
    [kin_inhibitor] => 
    [cid] => 
    [family] => Monoglyceridelipase_lysophospholip
    [inchikey] => CUWKHRITMRZSAU-UHFFFAOYSA-N
    [canonicalsmiles] => C1CN(CCN1C2CN(C2)C(=O)C3=CC=C(C(=C3)OCCF)C4=CC=C(C(=C4)C(F)(F)F)Cl)C(C5=NC=CS5)=O
    [inchi] => InChI=1S\/C27H25ClF4N4O3S\/c28-22-4-2-17(13-21(22)27(30,31)32)20-3-1-18(14-23(20)39-11-5-29)25(37)36-15-19(16-36)34-7-9-35(10-8-34)26(38)24-33-6-12-40-24\/h1-4,6,12-14,19H,5,7-11,15-16H2
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)