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
MW : 421.34
Formula : C17H17F6N5O
CAS_number :
UniChem : FDEXEPZGMKFCTG-PSASIEDQSA-O, FDEXEPZGMKFCTG-PSASIEDQSA-N
Target
Families : Triazolopiperazine-based-beta-amino-acid ligand of proteins in family
DPP4N_Peptidase_S9
Structure :
2QOE
Protein :
human-DPP4
References (1)
| Title : Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors - Kowalchick_2007_Bioorg.Med.Chem.Lett_17_5934 |
| 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 |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :5934 , 2007 |
| Abstract : |
| PubMedSearch : Kowalchick_2007_Bioorg.Med.Chem.Lett_17_5934 |
| PubMedID: 17827003 |
| Gene_locus related to this paper: human-DPP4 |