Inhibitor Report for: 5AP General
Type Pyrimidine Chemical_Nomenclature 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine Canonical SMILES COC1=CC(=CC(=C1)C2=NC(=C(C(=N2)N)CN)C3=C(C=C(C=C3)Cl)Cl)OC InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25) InChIKey RCJFINNFYUNFGH-UHFFFAOYSA-N Other name(s) Aminomethylpyrimidine 1e ; AC1L9LYJ ; CHEMBL34062
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Target
Families | 5AP ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 1RWQ : Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-amine Protein | human-DPP4
References:
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5AP
Title: Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituentsPeters JU , Weber S , Kritter S , Weiss P , Wallier A , Boehringer M , Hennig M , Kuhn B , Loeffler BM Ref: Bioorganic & Medicinal Chemistry Lett, 14 :1491, 2004 : PubMed Abstract ESTHER: Peters_2004_Bioorg.Med.Chem.Lett_14_1491 PubMedSearch: Peters 2004 Bioorg.Med.Chem.Lett 14 1491 PubMedID: 15006388 Gene_locus related to this paper: human-DPP4 Inhibitor(s) related to this paper: 5AP Abstract
The influence of aromatic substitution on a newly discovered class of inhibitors of dipeptidyl peptidase IV was investigated. A 10(5)-fold increase in potency was achieved by the optimization of aromatic substituents in a parallel chemistry program. The observed SAR could be explained by an X-ray structure of the protein-ligand complex.
