4-Oxo-beta-Lactam-A241
In the structure the beta-lactam ring is described as open
General
Type : Piperazine,beta-Lactam
Chemical_Nomenclature : 2-ethyl-2-formyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
Canonical SMILES : CCC(CC)(C=O)C(=O)NC1=CC=CC(=C1)CN2CCN(CC2)C
InChI : InChI=1S\/C19H29N3O2\/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22\/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24)
InChIKey : PBQJLTCTNSPMSB-UHFFFAOYSA-N
Other name(s) : QXN
MW : 331.45
Formula : C19H29N3O2
CAS_number :
PubChem : 156022754
UniChem : PBQJLTCTNSPMSB-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-A241 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7A3L Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor A241
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 |