Piperidinone-constrained-phenethylamine-31
General
Type : Benzodioxo,Trifluoro,Piperidine
Chemical_Nomenclature : (4R,5R)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
Canonical SMILES : C1C(C(CN(C1=O)CCC2=CC3=C(C=C2)OCO3)N)C4=CC(=C(C=C4F)F)F
InChI : InChI=1S\/C20H19F3N2O3\/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18\/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2\/t13-,17+\/m1\/s1
InChIKey : DIRIFWIKLRTNMB-DYVFJYSZSA-N
Other name(s) : GGO,(4R,5R)-5-amino-1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one,Piperidinone-Constrained Phenethylamine 31,CHEMBL225210,BDBM15510
MW : 392.37
Formula : C20H19F3N2O3
CAS_number :
PubChem : 16040279
UniChem : DIRIFWIKLRTNMB-DYVFJYSZSA-N
IUPHAR :
Wikipedia :
Target
Families : Piperidinone-constrained-phenethylamine-31 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2OQI Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Protein : human-DPP4
References (1)
| Title : Discovery and structure-activity relationships of piperidinone- and piperidine-constrained phenethylamines as novel, potent, and selective dipeptidyl peptidase IV inhibitors - Pei_2007_J.Med.Chem_50_1983 |
| Author(s) : Pei Z , Li X , von Geldern TW , Longenecker K , Pireh D , Stewart KD , Backes BJ , Lai C , Lubben TH , Ballaron SJ , Beno DW , Kempf-Grote AJ , Sham HL , Trevillyan JM |
| Ref : Journal of Medicinal Chemistry , 50 :1983 , 2007 |
| Abstract : Pei_2007_J.Med.Chem_50_1983 |
| ESTHER : Pei_2007_J.Med.Chem_50_1983 |
| PubMedSearch : Pei_2007_J.Med.Chem_50_1983 |
| PubMedID: 17367123 |
| Gene_locus related to this paper: human-DPP4 |