Inhibitor Report for: Triazolopiperazine-based-beta-amino-acid General
Type Piperidine , Trifluoro , Triazol Chemical_Nomenclature (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Canonical SMILES CC1C2=NC(=NN2CCN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N)C(F)(F)F InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1 InChIKey FDEXEPZGMKFCTG-PSASIEDQSA-O FDEXEPZGMKFCTG-PSASIEDQSA-N Other name(s) 448 ; DB07081 ; CHEMBL250787 ; (2r)-4-[(8r)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[1,5-A]pyrazin-7(8h)-Yl]-4-Oxo-1-(2,4,5-Trifluorophenyl)butan-2-Amine ; BDBM50221443 ; (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-5H,6H,8H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one ; (R)-3-amino-1-((R)-8-methyl-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
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Target
Families | Triazolopiperazine-based-beta-amino-acid ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 2QOE : Human dipeptidyl peptidase VI in complex with a triazolopiperazine-based beta amino acid inhibitor Protein | human-DPP4
References:
Title: Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitorsKowalchick JE , Leiting B , Pryor KD , Marsilio F , Wu JK , He H , Lyons KA , Eiermann GJ , Petrov A and Kim D <4 more author(s)> Kowalchick JE , Leiting B , Pryor KD , Marsilio F , Wu JK , He H , Lyons KA , Eiermann GJ , Petrov A , Scapin G , Patel RA , Thornberry NA , Weber AE , Kim D (- 4) Ref: Bioorganic & Medicinal Chemistry Lett, 17 :5934, 2007 : PubMed Abstract
