Inhibitor Report for: GVB General
Type Piperidine Chemical_Nomenclature (3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine Canonical SMILES CC1=CC=CC(=C1)C2CN(CCC2N)C3=CC(=C(C=C3)OC)OC InChI InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1 InChIKey DQJXBZGPJVSWFI-ROUUACIJSA-N Other name(s) DB07851
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Target
Families | GVB ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 2JID : Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine Protein | human-DPP4
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GVB
Title: 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors
Lubbers T , Bohringer M , Gobbi L , Hennig M , Hunziker D , Kuhn B , Loffler B , Mattei P , Narquizian R and Wyss P <3 more author(s)>
Lubbers T , Bohringer M , Gobbi L , Hennig M , Hunziker D , Kuhn B , Loffler B , Mattei P , Narquizian R , Peters JU , Ruff Y , Wessel HP , Wyss P (- 3)
Ref: Bioorganic & Medicinal Chemistry Lett, 17 :2966, 2007 : PubMed Abstract ESTHER: Lubbers_2007_Bioorg.Med.Chem.Lett_17_2966 PubMedSearch: Lubbers 2007 Bioorg.Med.Chem.Lett 17 2966 PubMedID: 17418568 Gene_locus related to this paper: human-DPP4 Inhibitor(s) related to this paper: GVB Abstract
In a search for novel DPP-IV inhibitors, 2-aminobenzo[a]quinolizines were identified as submicromolar HTS hits. Due to the difficult synthetic access to this compound class, 1,3-disubstituted 4-aminopiperidines were used as model compounds for optimization. The developed synthetic methodology and the SAR could be transferred to the 2-aminobenzo[a]quinolizine series, leading to highly active DPP-IV inhibitors.