DA-12228
S,R diastereomer of Evogliptin. Derivative of DA-1266. DPP4 IC50 51.7 nM
General
Type : Gliptin,Trifluoro,Piperazine
Chemical_Nomenclature : (3S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
Canonical SMILES : CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(CC2=CC(=C(C=C2F)F)F)N
InChI : InChI=1S\/C19H26F3N3O3\/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20\/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)\/t12-,16+\/m1\/s1
InChIKey : LCDDAGSJHKEABN-WBMJQRKESA-N
Other name(s) : 8OL,SCHEMBL2298513
MW : 401.43
Formula : C19H26F3N3O3
CAS_number :
PubChem : 25056009
UniChem : LCDDAGSJHKEABN-WBMJQRKESA-N
IUPHAR :
Wikipedia :
Target
Families : DA-12228 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5Y7J Crystal structure of human DPP4 in complex with inhibitor DA-12228
Protein : human-DPP4
References (1)
| Title : Unique binding mode of Evogliptin with human dipeptidyl peptidase IV - Lee_2017_Biochem.Biophys.Res.Commun_494_452 |
| Author(s) : Lee HK , Kim MK , Kim HD , Kim HJ , Kim JW , Lee JO , Kim CW , Kim EE |
| Ref : Biochemical & Biophysical Research Communications , 494 :452 , 2017 |
| Abstract : Lee_2017_Biochem.Biophys.Res.Commun_494_452 |
| ESTHER : Lee_2017_Biochem.Biophys.Res.Commun_494_452 |
| PubMedSearch : Lee_2017_Biochem.Biophys.Res.Commun_494_452 |
| PubMedID: 29061303 |
| Gene_locus related to this paper: human-DPP4 |