4-aryl-cyclohexylalanine-inhibitor-1
General
Type : Triazol,Pyrrolidine
Chemical_Nomenclature : (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl]butanamide
Canonical SMILES : CN(C)C(=O)C(C1CCC(CC1)C2=CN3C(=NC=N3)C=C2)C(C(=O)N4CCC(C4)(F)F)N
InChI : InChI=1S\/C22H30F2N6O2\/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16\/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3\/t14?,15?,18-,19-\/m0\/s1
InChIKey : JNAZOMVWUGPITI-BURPLHJFSA-O || JNAZOMVWUGPITI-BURPLHJFSA-N
Other name(s) : 474,DB07092,CHEMBL238191,CHEMBL437557,SCHEMBL2898742,BDBM50221970,BDBM50221981
MW : 448.51
Formula : C22H30F2N6O2
CAS_number :
UniChem : JNAZOMVWUGPITI-BURPLHJFSA-O || JNAZOMVWUGPITI-BURPLHJFSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-aryl-cyclohexylalanine-inhibitor-1 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2QTB Human dipeptidyl peptidase IV\/CD26 in complex with 4-aryl cyclohexylanine inhibitor 1
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 |