4-Oxo-beta-Lactam-B115
In the structure the beta-lactam ring is described as open
General
Type : Piperazine,beta-Lactam
Chemical_Nomenclature : ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Canonical SMILES : CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br
InChI : InChI=1S\/C25H30BrN3O3\/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19\/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
InChIKey : OHVWTLFLVCPRSC-UHFFFAOYSA-N
Other name(s) : S9W
MW : 500.43
Formula : C25H30BrN3O3
CAS_number :
PubChem : 156022759
UniChem : OHVWTLFLVCPRSC-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-B115 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7AYR Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115 (replaces 6T6U withdrawn)
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 |