Flouroolefin-2
General
Type : Sulfur Compound,Cyclopropyl,Oxadiazol,Sulfonyl
Chemical_Nomenclature : (2S,3S)-3-[3-(2-chloro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylidene-4-cycloprop-2-en-1-yl-1-fluorobutan-2-amine
Canonical SMILES : CS(=O)(=O)C1=CC(=C(C=C1)C2=NOC(=N2)C(CC3C=C3)C(C(=C4CCCC4)F)N)Cl
InChI : InChI=1S\/C21H23ClFN3O3S\/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13\/h6-9,11-12,16,19H,2-5,10,24H2,1H3\/t16-,19-\/m0\/s1
InChIKey : KAFTWRNSMBZRAP-LPHOPBHVSA-N || XCCSSVMRGIQMGF-LPHOPBHVSA-N
Other name(s) : 317,CHEMBL402163,CHEMBL1185242,BDBM50374938,DB06994,(2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(1Z)-cyclopentylidene]-4-cyclopropyl-1-fluorobutan-2-amine
MW : 451.94
Formula : C21H23ClFN3O3S
CAS_number :
UniChem : KAFTWRNSMBZRAP-LPHOPBHVSA-N || XCCSSVMRGIQMGF-LPHOPBHVSA-N
IUPHAR :
Wikipedia :
Target
Families : Flouroolefin-2 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3C45 Human dipeptidyl peptidase IV\/CD26 in complex with a flouroolefin inhibitor 2
Protein : human-DPP4
References (1)
| Title : Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors - Edmondson_2008_Bioorg.Med.Chem.Lett_18_2409 |
| Author(s) : Edmondson SD , Wei L , Xu J , Shang J , Xu S , Pang J , Chaudhary A , Dean DC , He H , Leiting B , Lyons KA , Patel RA , Patel SB , Scapin G , Wu JK , Beconi MG , Thornberry NA , Weber AE |
| Ref : Bioorganic & Medicinal Chemistry Lett , 18 :2409 , 2008 |
| Abstract : Edmondson_2008_Bioorg.Med.Chem.Lett_18_2409 |
| ESTHER : Edmondson_2008_Bioorg.Med.Chem.Lett_18_2409 |
| PubMedSearch : Edmondson_2008_Bioorg.Med.Chem.Lett_18_2409 |
| PubMedID: 18331795 |
| Gene_locus related to this paper: human-DPP4 |