PF-06795071
Irreversible MAGL inhibitor. The adduct on the active serine without the leaving group is E3A FNIBKVOGYHDUDM-UOIKSKOESA-N. It is the same adduct for PF-06795071 and for compound 10 used in cristallization. [18F]PF06795071 developped as a PET probe
General
Type : Trifluoro,Carbamate,PET probe,Pyrazole,Azabicyclo
Chemical_Nomenclature : (1,1,1-trifluoro-3-hydroxypropan-2-yl) 6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
Canonical SMILES : C1C2C(C2C3=NN(C=C3)C4=CC=C(C=C4)F)CN1C(=O)OC(CO)C(F)(F)F
InChI : InChI=1S\/C18H17F4N3O3\/c19-10-1-3-11(4-2-10)25-6-5-14(23-25)16-12-7-24(8-13(12)16)17(27)28-15(9-26)18(20,21)22\/h1-6,12-13,15-16,26H,7-9H2
InChIKey : MEDCQBUTCWNKGW-UHFFFAOYSA-N
Other name(s) : SCHEMBL18423028,SCHEMBL18418168,PF06795071,E3A,Pfizer-06795071,MAGL-1902,[18F]MAGL-1902
MW : 399.34
Formula : C18H17F4N3O3
CAS_number :
PubChem : 126506472
UniChem : MEDCQBUTCWNKGW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : PF-06795071 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture : 6BQ0 Structure of human monoacylglycerol lipase bound to PF-06795071 a covalent inhibitor
Protein : human-MGLL
References (3)
| Title : Development of a highly-specific (18)F-labeled irreversible positron emission tomography tracer for monoacylglycerol lipase mapping - Chen_2021_Acta.Pharm.Sin.B_11_1686 |
| Author(s) : Chen Z , Mori W , Rong J , Schafroth MA , Shao T , Van RS , Ogasawara D , Yamasaki T , Hiraishi A , Hatori A , Chen J , Zhang Y , Hu K , Fujinaga M , Sun J , Yu Q , Collier TL , Shao Y , Cravatt BF , Josephson L , Zhang MR , Liang SH |
| Ref : Acta Pharm Sin B , 11 :1686 , 2021 |
| Abstract : Chen_2021_Acta.Pharm.Sin.B_11_1686 |
| ESTHER : Chen_2021_Acta.Pharm.Sin.B_11_1686 |
| PubMedSearch : Chen_2021_Acta.Pharm.Sin.B_11_1686 |
| PubMedID: 34221877 |
| Gene_locus related to this paper: human-MGLL |
| Title : Design, Synthesis, and Evaluation of (18)F-Labeled Monoacylglycerol Lipase Inhibitors as Novel Positron Emission Tomography Probes - Chen_2019_J.Med.Chem_62_8866 |
| Author(s) : Chen Z , Mori W , Fu H , Schafroth MA , Hatori A , Shao T , Zhang G , Van RS , Zhang Y , Hu K , Fujinaga M , Wang L , Belov V , Ogasawara D , Giffenig P , Deng X , Rong J , Yu Q , Zhang X , Papisov MI , Shao Y , Collier TL , Ma JA , Cravatt BF , Josephson L , Zhang MR , Liang SH |
| Ref : Journal of Medicinal Chemistry , 62 :8866 , 2019 |
| Abstract : Chen_2019_J.Med.Chem_62_8866 |
| ESTHER : Chen_2019_J.Med.Chem_62_8866 |
| PubMedSearch : Chen_2019_J.Med.Chem_62_8866 |
| PubMedID: 31518130 |
| Title : Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation - McAllister_2018_J.Med.Chem_61_3008 |
| Author(s) : McAllister LA , Butler CR , Mente S , O'Neil SV , Fonseca KR , Piro JR , Cianfrogna JA , Foley TL , Gilbert AM , Harris AR , Helal CJ , Johnson DS , Montgomery JI , Nason DM , Noell S , Pandit J , Rogers BN , Samad TA , Shaffer CL , da Silva RG , Uccello DP , Webb D , Brodney MA |
| Ref : Journal of Medicinal Chemistry , 61 :3008 , 2018 |
| Abstract : McAllister_2018_J.Med.Chem_61_3008 |
| ESTHER : McAllister_2018_J.Med.Chem_61_3008 |
| PubMedSearch : McAllister_2018_J.Med.Chem_61_3008 |
| PubMedID: 29498843 |
| Gene_locus related to this paper: human-MGLL |