MGL-Inhibitor-21
MGLL inhibitor 21 binds to MAGL (Ki = 0.4 uM) and reversibly blocks the enzyme with an IC50 value of 0.18 uM. MAGL inhibitor 21 inhibit FAAH activity in mouse brain with an IC50 value of 59 uM. It does not bind CB1 or CB2 receptors and does not inhibits ABHD6 and ABHD12 (Kis > 10 uM)
General
Type : Benzodioxo
Chemical_Nomenclature : 1,3-benzodioxol-5-ylmethyl 6-(4-phenylphenyl)hexanoate
Canonical SMILES : C1OC2=C(O1)C=C(C=C2)COC(=O)CCCCCC3=CC=C(C=C3)C4=CC=CC=C4
InChI : InChI=1S\/C26H26O4\/c27-26(28-18-21-13-16-24-25(17-21)30-19-29-24)10-6-1-3-7-20-11-14-23(15-12-20)22-8-4-2-5-9-22\/h2,4-5,8-9,11-17H,1,3,6-7,10,18-19H2
InChIKey : WAFJKVGCIWVHQC-UHFFFAOYSA-N
Other name(s) : compound 21,compound-21,Monoacylglycerol Lipase Inhibitor 21,MAGL Inhibitor 21,MGL Inhibitor 21
MW : 402.48
Formula : C26H26O4
CAS_number : 1643657-35-5
PubChem : 78209996
UniChem : WAFJKVGCIWVHQC-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : MGL-Inhibitor-21 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture :
Protein : human-MGLL
References (1)
| Title : A reversible and selective inhibitor of monoacylglycerol lipase ameliorates multiple sclerosis - Hernandez-Torres_2014_Angew.Chem.Int.Ed.Engl_53_13765 |
| Author(s) : Hernandez-Torres G , Cipriano M , Heden E , Bjorklund E , Canales A , Zian D , Feliu A , Mecha M , Guaza C , Fowler CJ , Ortega-Gutierrez S , Lopez-Rodriguez ML |
| Ref : Angew Chem Int Ed Engl , 53 :13765 , 2014 |
| Abstract : Hernandez-Torres_2014_Angew.Chem.Int.Ed.Engl_53_13765 |
| ESTHER : Hernandez-Torres_2014_Angew.Chem.Int.Ed.Engl_53_13765 |
| PubMedSearch : Hernandez-Torres_2014_Angew.Chem.Int.Ed.Engl_53_13765 |
| PubMedID: 25298214 |