4-aryl-cyclohexylalanine-inhibitor-2
General
Type : Triazol,Pyrrolidine
Chemical_Nomenclature : (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl]butanamide
Canonical SMILES : CN(C)C(=O)C(C1CCC(CC1)C2=CC=CC3=NC=NN32)C(C(=O)N4CCC(C4)F)N
InChI : InChI=1S\/C22H31FN6O2\/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18\/h3-5,13-16,19-20H,6-12,24H2,1-2H3\/t14?,15?,16-,19-,20-\/m0\/s1
InChIKey : ZPWDKZWKUOYOHA-AJHRRDMJSA-N
Other name(s) : 524,CHEMBL237566,CHEMBL400841,SCHEMBL13412170,BDBM50221979,BDBM50221980
MW : 430.52
Formula : C22H31FN6O2
CAS_number :
PubChem : 11495704
UniChem : ZPWDKZWKUOYOHA-AJHRRDMJSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-aryl-cyclohexylalanine-inhibitor-2 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2QT9 Human dipeptidyl peptidase IV\/CD26 in complex with 4-aryl cyclohexylanine inhibitor 2
Protein : human-DPP4
References (1)
| Title : 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV - Kaelin_2007_Bioorg.Med.Chem.Lett_17_5806 |
| Author(s) : Kaelin DE , Smenton AL , Eiermann GJ , He H , Leiting B , Lyons KA , Patel RA , Patel SB , Petrov A , Scapin G , Wu JK , Thornberry NA , Weber AE , Duffy JL |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :5806 , 2007 |
| Abstract : Kaelin_2007_Bioorg.Med.Chem.Lett_17_5806 |
| ESTHER : Kaelin_2007_Bioorg.Med.Chem.Lett_17_5806 |
| PubMedSearch : Kaelin_2007_Bioorg.Med.Chem.Lett_17_5806 |
| PubMedID: 17851076 |
| Gene_locus related to this paper: human-DPP4 |