Pyrimidinone-inhibitor1
General
Type : Purine,Piperazine
Chemical_Nomenclature : 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
Canonical SMILES : CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4Cl
InChI : InChI=1S\/C18H21ClN6O2\/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24\/h3-6,20H,7-11H2,1-2H3
InChIKey : PDZWWGBRZISNRL-UHFFFAOYSA-N || PDZWWGBRZISNRL-UHFFFAOYSA-O
Other name(s) : RUF,3g0c,AC1OKWT8,374612-08-5,F3259-0358,7-(2-chlorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione,7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione,7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazinyl-1,3,7-trihydropurine-2,6-dione,BAS 01547192
MW : 388.85
Formula : C18H21ClN6O2
CAS_number :
UniChem : PDZWWGBRZISNRL-UHFFFAOYSA-N || PDZWWGBRZISNRL-UHFFFAOYSA-O
IUPHAR :
Wikipedia :
Target
Families : Pyrimidinone-inhibitor1 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3G0C Crystal structure of Dipeptidyl Peptidase IV in complex with a pyrimidinedione inhibitor 1
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 |