beta-lactam-A295
General
Type : Quinoline,Piperazine
Chemical_Nomenclature : 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Canonical SMILES : CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3nccc4
InChI : InChI=1S\/C28H34N4O2\/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24\/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)
InChIKey : HUVCJXYEGHNBRX-UHFFFAOYSA-N
Other name(s) : KBO
MW : 458.60
Formula : C28H34N4O2
CAS_number :
PubChem :
UniChem : HUVCJXYEGHNBRX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : beta-lactam-A295 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7ZXS Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
Protein : human-DPP9
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 |