4-Oxo-beta-Lactam-91-sub
In the structure the beta-lactam ring is described as open
General
Type : Isoquinoline,beta-Lactam,Benzodioxo,Azetidin
Chemical_Nomenclature : 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
Canonical SMILES : CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC
InChI : InChI=1S\/C24H26N2O4\/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25\/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3
InChIKey : MFVPPSBYBIAVQH-UHFFFAOYSA-N
Other name(s) : QXT
MW : 406.47
Formula : C24H26N2O4
CAS_number :
PubChem : 155926544
UniChem : MFVPPSBYBIAVQH-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-91-sub 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 |