4-Oxo-beta-Lactam-91
In the structure the beta-lactam ring is described as open
General
Type : Isoquinoline,beta-Lactam,Benzodioxo
Chemical_Nomenclature : ~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
Canonical SMILES : CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4
InChI : InChI=1S\/C24H28N2O4\/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26\/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)
InChIKey : DZOGMSIEUICIFK-UHFFFAOYSA-N
Other name(s) : S9W
MW : 408.49
Formula : C24H28N2O4
CAS_number :
PubChem :
UniChem : DZOGMSIEUICIFK-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-91 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7A3G Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor91
Protein : human-DPP8
References (1)
| Title : Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9 - Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| Author(s) : Carvalho LAR , Ross B , Fehr L , Bolgi O , Wohrle S , Lum KM , Podlesainski D , Vieira AC , Kiefersauer R , Felix R , Rodrigues T , Lucas SD , Gross O , Geiss-Friedlander R , Cravatt BF , Huber R , Kaiser M , Moreira R |
| Ref : Angew Chem Int Ed Engl , : , 2022 |
| Abstract : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| ESTHER : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedSearch : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedID: 36089535 |
| Gene_locus related to this paper: human-DPP8 , human-DPP9 |