Piperidine-fused-benzimidazole-25
General
Type : Trifluoro,Piperidine,Sulfur Compound,Imidazole,Benzimidazole,Sulfonyl
Chemical_Nomenclature : (2R,3R)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
Canonical SMILES : CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)N || CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)[NH3+]
InChI : InChI=1S\/C18H16F3N3O2S\/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19\/h2-5,7,11,15H,6,8,22H2,1H3\/t11-,15+\/m1\/s1
InChIKey : HJJAYSSCWGUPKO-ABAIWWIYSA-N || HJJAYSSCWGUPKO-ABAIWWIYSA-O
Other name(s) : (2r,3r)-7-(Methylsulfonyl)-3-(2,4,5-Trifluorophenyl)-1,2,3,4-Tetrahydropyrido[1,2-A]benzimidazol-2-Amine,CHEMBL1197118,DB07193,(11R,12R)-5-methanesulfonyl-11-(2,4,5-trifluorophenyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8-tetraen-12-amine,677,CHEMBL559940,3hab,BDBM50296488,Trifluoro-acetate(2R,3R)-7-methanesulfonyl-3-(2,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridin-2-yl-ammonium
MW : 395.4
Formula : C18H16F3N3O2S
CAS_number :
UniChem : HJJAYSSCWGUPKO-ABAIWWIYSA-N || HJJAYSSCWGUPKO-ABAIWWIYSA-O
IUPHAR :
Wikipedia :
Target
Families : Piperidine-fused-benzimidazole-25 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3HAB The structure of DPP4 in complex with piperidine fused benzimidazole 25
Protein : human-DPP4
References (1)
| Title : Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors - Edmondson_2009_Bioorg.Med.Chem.Lett_19_4097 |
| Author(s) : Edmondson SD , Mastracchio A , Cox JM , Eiermann GJ , He H , Lyons KA , Patel RA , Patel SB , Petrov A , Scapin G , Wu JK , Xu S , Zhu B , Thornberry NA , Roy RS , Weber AE |
| Ref : Bioorganic & Medicinal Chemistry Lett , 19 :4097 , 2009 |
| Abstract : Edmondson_2009_Bioorg.Med.Chem.Lett_19_4097 |
| ESTHER : Edmondson_2009_Bioorg.Med.Chem.Lett_19_4097 |
| PubMedSearch : Edmondson_2009_Bioorg.Med.Chem.Lett_19_4097 |
| PubMedID: 19539471 |
| Gene_locus related to this paper: human-DPP4 |