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

Target

Families : 4-Oxo-beta-Lactam-B115 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
7AYR

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 :
PubMedSearch : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498
PubMedID: 36089535
Gene_locus related to this paper: human-DPP8 , human-DPP9