MGLL-BODIPY-Cpd9
General
Type : Azaspiro, BODIPY-derivative, Boron compound, Fluorescent Probe
Chemical_Nomenclature : 3-(5,5-Difluoro-7,9-dimethyl-5H-54,64-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-N-(2-(2-((2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl)methyl)phenoxy)ethyl)propanamide
Canonical SMILES : N3(C(N1CC2(C1)COC(N2)=O)=O)CC4(C3)CC(C4)CC5=CC=CC=C5OCCNC(CCC6=CC=C8[N]6[B-]([N+]7=C(C=C(C7=C8)C)C)(F)F)=O || CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)NCCOc4ccccc4CC5CC6(C5)CN(C6)C(=O)N7CC8(COC(=O)N8)C7)n3[B-]2(F)F)C
InChI : InChI=1S\/C35H41BF2N6O5\/c1-23-13-24(2)43-29(23)15-28-8-7-27(44(28)36(43,37)38)9-10-31(45)39-11-12-48-30-6-4-3-5-26(30)14-25-16-34(17-25)18-41(19-34)33(47)42-20-35(21-42)22-49-32(46)40-35\/h3-8,13,15,25H,9-12,14,16-22H2,1-2H3,(H,39,45)(H,40,46)
InChIKey : IREDGWRMCRGHGX-UHFFFAOYSA-N
Other name(s) : A1IIH || 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]-~{N}-[2-[2-[[2-[(6-oxidanylidene-7-oxa-2,5-diazaspiro[3.4]octan-2-yl)carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]phenoxy]ethyl]propanamide
Target
Families : MGLL-BODIPY-Cpd9 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
9G4M
Protein :
human-MGLL
References (1)
| Title : A Highly Selective and Versatile Probe Platform for Visualization of Monoacylglycerol Lipase - Hentsch_2025_Angew.Chem.Int.Ed.Engl__e202413405 |
| Author(s) : Hentsch A , Guberman M , Radetzki S , Kaushik S , Huizenga M , Paul J , Schippers M , Benz J , Kuhn B , Heer D , Topp A , Esteves Gloria L , Walter A , Hochstrasser R , Wittwer MB , von Kries JP , Collin L , Blaising J , van der Stelt M , Lipstein N , Grether U , Nazare M |
| Ref : Angew Chem Int Ed Engl , :e202413405 , 2025 |
| Abstract : |
| PubMedSearch : Hentsch_2025_Angew.Chem.Int.Ed.Engl__e202413405 |
| PubMedID: 39916545 |
| Gene_locus related to this paper: human-MGLL |