Indol-adamantyl-carbamate-Nitrobenzooxadiazol-Cpd20
IC50 DPP8 210 +/- 79 nM; DPP9 15 +/- 4 nM; DPP4 0.44 +/- 0.08 mM quite specific for DDP8/9. NBD probe 20 was used to label and visualize active DPP8/9 in intact cells
General
Type : Gliptin, Adamantyl, Carbamate, Indole, Oxadiazol, NBD-nitro-benzoxadiazol-fluorescent, Benzoxadiazole
Chemical_Nomenclature : 2-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]ethyl N-[3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]carbamate
Canonical SMILES : C1C2CC3(CC1CC(C2)(C3)NC(=O)OCCOCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-])NCC(=O)N6CC7=C(C6)C=C(C=C7)F
InChI : InChI=1S\/C31H36FN7O7\/c32-23-2-1-21-16-38(17-22(21)10-23)26(40)15-34-30-11-19-9-20(12-30)14-31(13-19,18-30)35-29(41)45-8-7-44-6-5-33-24-3-4-25(39(42)43)28-27(24)36-46-37-28\/h1-4,10,19-20,33-34H,5-9,11-18H2,(H,35,41)
InChIKey : MAIFOHYNLBAWDL-UHFFFAOYSA-N
Other name(s) :
MW : 637.7
Formula : C31H36FN7O7
CAS_number :
PubChem : 170606026
UniChem : MAIFOHYNLBAWDL-UHFFFAOYSA-N
Target
Families : Indol-adamantyl-carbamate-Nitrobenzooxadiazol-Cpd20 ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-DPP9
human-DPP8
References (1)
| Title : Active site-directed probes targeting dipeptidyl peptidases 8 and 9 - Espadinha_2024_Eur.J.Med.Chem_270_116389 |
| Author(s) : Espadinha M , De Loose J , Corthaut S , Thys S , Van Rymenant Y , Verhulst E , Benramdane S , Filippi N , Augustyns K , Van Wielendaele P , Pintelon I , De Meester I , Van der Veken P |
| Ref : Eur Journal of Medicinal Chemistry , 270 :116389 , 2024 |
| PubMedID: 38593588 |