4-Oxo-beta-Lactam-A272
In the structure the beta-lactam ring is described as open
General
Type : Piperazine,beta-Lactam,Naphthalen
Chemical_Nomenclature : 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Canonical SMILES : CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4
InChI : InChI=1S\/C29H35N3O2\/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25\/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
InChIKey : AGJXNYANCJMTSI-UHFFFAOYSA-N
Other name(s) : QXK
MW : 457.61
Formula : C29H35N3O2
CAS_number :
PubChem : 156022753
UniChem : AGJXNYANCJMTSI-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-A272 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7A3J Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor A272
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 |