SCHEMBL22462761
General
Type : PET probe, Trifluoro, Urea derivative, Azetidin, Oxazine
Chemical_Nomenclature : (4aR,8aS)-6-[3-[2-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
Canonical SMILES : C1CN(CC2C1OCC(=O)N2)C(=O)N3CC(C3)CCC4=C(C=CC=C4F)C(F)(F)F
InChI : InChI=1S\/C20H23F4N3O3\/c21-15-3-1-2-14(20(22,23)24)13(15)5-4-12-8-27(9-12)19(29)26-7-6-17-16(10-26)25-18(28)11-30-17\/h1-3,12,16-17H,4-11H2,(H,25,28)\/t16-,17+\/m1\/s1
InChIKey : JFVCHTHNSGAFJV-SJORKVTESA-N
Other name(s) : US11802133, Example 139 || [11C]7 || CHEMBL5424652 || SCHEMBL29693494 || Compound 9 || (4aR,8aS)-6-[3-[2-[2-Fluoro-6-(trifluoromethyl)phenyl][3H4]-ethyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one || [3H]9 || A1I4L
MW : 429.4
Formula : C20H23F4N3O3
CAS_number :
PubChem : 155141985
UniChem : JFVCHTHNSGAFJV-SJORKVTESA-N
Target
Families : SCHEMBL22462761 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
mouse-MGLL
References (2)
| Title : Tritium-Labeled Compounds in PET Tracer Discovery? A Case Study from Roche's Internal Monoacylglycerol Lipase Program - Edelmann_2025_ACS.Chem.Neurosci__ |
| Author(s) : Edelmann MR , Gobbi LC , Schmalzbauer S , Beck J , Muller MC , Hau JC , Huber S , Haider A , Wittwer MB , Pavlovic A , Collin L , Heer D , Topp A , Leibrock-Thielen L , Benz J , Hilbert M , Honer M , Grether U |
| Ref : ACS Chem Neurosci , : , 2025 |
| Abstract : |
| PubMedSearch : Edelmann_2025_ACS.Chem.Neurosci__ |
| PubMedID: 40968094 |
| Title : Multi-parameter optimization: Development of a morpholin-3-one derivative with an improved kinetic profile for imaging monoacylglycerol lipase in the brain - He_2022_Eur.J.Med.Chem_243_114750 |
| Author(s) : He Y , Grether U , Taddio MF , Meier C , Keller C , Edelmann MR , Honer M , Huber S , Wittwer MB , Heer D , Richter H , Collin L , Hug MN , Hilbert M , Postmus AGJ , Stevens AF , van der Stelt M , Kramer SD , Schibli R , Mu L , Gobbi LC |
| Ref : Eur Journal of Medicinal Chemistry , 243 :114750 , 2022 |
| Abstract : |
| PubMedSearch : He_2022_Eur.J.Med.Chem_243_114750 |
| PubMedID: 36137365 |
| Gene_locus related to this paper: human-MGLL , mouse-MGLL |