3TP
General
Type : Pyrrolidine,Sulfur Compound,Oxadiazol,Sulfonyl
Chemical_Nomenclature : (2S,3S)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrol-1-ylbutan-1-one
Canonical SMILES : CC(C1=NC(=NO1)C2=CC=C(C=C2)S(=O)(=O)C)C(C(=O)N3C=CC=C3)N
InChI : InChI=1S\/C17H18N4O4S\/c1-11(14(18)17(22)21-9-3-4-10-21)16-19-15(20-25-16)12-5-7-13(8-6-12)26(2,23)24\/h3-11,14H,18H2,1-2H3\/t11-,14-\/m0\/s1
InChIKey : SQCDMTZMCHZYGO-FZMZJTMJSA-N || ZMCPWXMPQCSCIF-FZMZJTMJSA-N
Other name(s) : (2s,3s)-3-{3-[4-(Methylsulfonyl)phenyl]-1,2,4- Oxadiazol-5-Yl}-1-Oxo-1-Pyrrolidin-1-Ylbutan-2-Amine,oxadiazole inhibitor,DB07067,CHEBI:39955,(2S,3S)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine,(2S,3S)-2-amino-3-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one,CHEMBL374936,Alpha-amino acid pyrrolidide 20,BDBM11658
MW : 374.41
Formula : C17H22N4O4S
CAS_number :
UniChem : SQCDMTZMCHZYGO-FZMZJTMJSA-N || ZMCPWXMPQCSCIF-FZMZJTMJSA-N
IUPHAR :
Wikipedia :
Target
Families : 3TP ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2HHA The structure of DPP4 in complex with an oxadiazole inhibitor
Protein : human-DPP4
References (1)
| Title : Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors - Xu_2006_Bioorg.Med.Chem.Lett_16_5373 |
| Author(s) : Xu J , Wei L , Mathvink RJ , Edmondson SD , Eiermann GJ , He H , Leone JF , Leiting B , Lyons KA , Marsilio F , Patel RA , Patel SB , Petrov A , Scapin G , Wu JK , Thornberry NA , Weber AE |
| Ref : Bioorganic & Medicinal Chemistry Lett , 16 :5373 , 2006 |
| Abstract : Xu_2006_Bioorg.Med.Chem.Lett_16_5373 |
| ESTHER : Xu_2006_Bioorg.Med.Chem.Lett_16_5373 |
| PubMedSearch : Xu_2006_Bioorg.Med.Chem.Lett_16_5373 |
| PubMedID: 16919457 |
| Gene_locus related to this paper: human-DPP4 |