1,3,4-oxadiazolyl-ketone-18h
General
Type : Pyrrolidine,Ketone,Oxadiazol,tert-Butyl
Chemical_Nomenclature : [2-[(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxymethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-(1-hydroxy-2-methylpropan-2-yl)azanium
Canonical SMILES : CC(C)(C)C1=NN=C(O1)C(C2CC(CN2C(=O)C[NH2+]C(C)(C)CO)F)O
InChI : InChI=1S\/C17H29FN4O4\/c1-16(2,3)15-21-20-14(26-15)13(25)11-6-10(18)8-22(11)12(24)7-19-17(4,5)9-23\/h10-11,13,19,23,25H,6-9H2,1-5H3\/p+1\/t10-,11-,13+\/m0\/s1
InChIKey : PHTMASAWZAGGEK-GMXVVIOVSA-O || XRXUTQQKFLCKFJ-QWRGUYRKSA-N
Other name(s) : 13Z,CHEMBL1229644
MW : 373.44
Formula : C17H30FN4O4+
CAS_number :
UniChem : PHTMASAWZAGGEK-GMXVVIOVSA-O || XRXUTQQKFLCKFJ-QWRGUYRKSA-N
IUPHAR :
Wikipedia :
Target
Families : 1,3,4-oxadiazolyl-ketone-18h ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2QKY complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone
Protein : human-DPP4
References (1)
| Title : Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones - Koo_2007_Bioorg.Med.Chem.Lett_17_4167 |
| Author(s) : Koo KD , Kim MJ , Kim S , Kim KH , Hong SY , Hur GC , Yim HJ , Kim GT , Han HO , Kwon OH , Kwon TS , Koh JS , Lee CS |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :4167 , 2007 |
| Abstract : Koo_2007_Bioorg.Med.Chem.Lett_17_4167 |
| ESTHER : Koo_2007_Bioorg.Med.Chem.Lett_17_4167 |
| PubMedSearch : Koo_2007_Bioorg.Med.Chem.Lett_17_4167 |
| PubMedID: 17544668 |
| Gene_locus related to this paper: human-DPP4 |