Pyrimidinone-inhibitor3
General
Type : Pyrimidine,Cyanide
Chemical_Nomenclature : 2-[[2-[(3R)-3-aminopiperidin-1-ium-1-ylidene]-5-bromo-4-oxo-1H-pyrimidin-3-yl]methyl]benzonitrile
Canonical SMILES : C1CC(C[N+](=C2NC=C(C(=O)N2CC3=CC=CC=C3C#N)Br)C1)N
InChI : InChI=1S\/C17H18BrN5O\/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19\/h1-2,4-5,9,14H,3,6-7,10-11,20H2\/p+1\/t14-\/m1\/s1
InChIKey : GGCILSXUAHLDMF-CQSZACIVSA-O
Other name(s) : RUM
MW : 390.28
Formula : C17H20BrN5O+2
CAS_number :
UniChem : GGCILSXUAHLDMF-CQSZACIVSA-O
IUPHAR :
Wikipedia :
Target
Families : Pyrimidinone-inhibitor3 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3G0G Crystal structure of Dipeptidyl Peptidase IV in complex with a pyrimidinone inhibitor
Protein : human-DPP4
References (1)
| Title : Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV - Zhang_2011_J.Med.Chem_54_510 |
| Author(s) : Zhang Z , Wallace MB , Feng J , Stafford JA , Skene RJ , Shi L , Lee B , Aertgeerts K , Jennings A , Xu R , Kassel DB , Kaldor SW , Navre M , Webb DR , Gwaltney SL |
| Ref : Journal of Medicinal Chemistry , 54 :510 , 2011 |
| Abstract : Zhang_2011_J.Med.Chem_54_510 |
| ESTHER : Zhang_2011_J.Med.Chem_54_510 |
| PubMedSearch : Zhang_2011_J.Med.Chem_54_510 |
| PubMedID: 21186796 |
| Gene_locus related to this paper: human-DPP4 |