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Pyrimidinone-inhibitor1

General

Type : Purine, Piperazine, Organochlorine

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 :

PubChem : 979136,    7369839

UniChem : PDZWWGBRZISNRL-UHFFFAOYSA-N,    PDZWWGBRZISNRL-UHFFFAOYSA-O

Target

Families : Pyrimidinone-inhibitor1 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
3G0C

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 :
PubMedSearch : Zhang_2011_J.Med.Chem_54_510
PubMedID: 21186796
Gene_locus related to this paper: human-DPP4