MGLL-BODIPY-Cpd5
General
Type : Azaspiro, BODIPY-derivative, Boron compound, Triazol, Fluorescent Probe
Chemical_Nomenclature : [6-[[2,2-bis(fluoranyl)-3-aza-1-azonia-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone || [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(2,2-difluoro-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-8-yl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
Canonical SMILES : B1(n2cccc2C(=C3[N+]1=CC=C3)CC4CC5(C4)CN(C5)C(=O)N6CC7(C6)CC(C7)n8cnc(n8)C9CC9)(F)F || [B-]1(N2CC=CC2=C(C3=CC=CN31)CC4CC5(C4)CN(C5)C(=O)N6CC7(C6)CC(C7)N8C=NC(=N8)C9CC9)(F)F
InChI : InChI=1S\/C28H32BF2N7O\/c30-29(31)36-7-1-3-23(36)22(24-4-2-8-37(24)29)9-19-10-27(11-19)14-34(15-27)26(39)35-16-28(17-35)12-21(13-28)38-18-32-25(33-38)20-5-6-20\/h1-4,7-8,18-21H,5-6,9-17H2\/q+1 || InChI=1S\/C28H33BF2N7O\/c30-29(31)36-7-1-3-23(36)22(24-4-2-8-37(24)29)9-19-10-27(11-19)14-34(15-27)26(39)35-16-28(17-35)12-21(13-28)38-18-32-25(33-38)20-5-6-20\/h1-4,7,18-21H,5-6,8-17H2\/q-1
InChIKey : PYTQGHQFGJMRKP-UHFFFAOYSA-N || DRHXTVKXLKQLKJ-UHFFFAOYSA-N
Other name(s) : A1H35
MW : 531.408 || 532.4
Formula : C28H32BF2N7O || C28H33BF2N7O-
CAS_number :
PubChem : 172653927
UniChem : PYTQGHQFGJMRKP-UHFFFAOYSA-N, DRHXTVKXLKQLKJ-UHFFFAOYSA-N
Target
Families : MGLL-BODIPY-Cpd5 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
8RVF
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 |