6Z8
inhibitor related to Linagliptin
General
Type : Purine, Piperidine, Gliptin, Peptide
Chemical_Nomenclature : 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Canonical SMILES : CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4Br
InChI : InChI=1S\/C19H23BrN6O2\/c1-23-16-15(17(27)24(2)19(23)28)26(10-12-6-3-4-8-14(12)20)18(22-16)25-9-5-7-13(21)11-25\/h3-4,6,8,13H,5,7,9-11,21H2,1-2H3\/t13-\/m1\/s1
InChIKey : CADOMWLQFMIXFQ-CYBMUJFWSA-N
Other name(s) : 8-[(3~{R})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione || SCHEMBL4668963
MW : 447.33
Formula : C19H23BrN6O2
CAS_number :
PubChem : 59990713
UniChem : CADOMWLQFMIXFQ-CYBMUJFWSA-N
Target
References (1)
| Title : Comparative Analysis of Binding Kinetics and Thermodynamics of Dipeptidyl Peptidase-4 Inhibitors and Their Relationship to Structure - Schnapp_2016_J.Med.Chem_59_7466 |
| Author(s) : Schnapp G , Klein T , Hoevels Y , Bakker RA , Nar H |
| Ref : Journal of Medicinal Chemistry , 59 :7466 , 2016 |
| Abstract : |
| PubMedSearch : Schnapp_2016_J.Med.Chem_59_7466 |
| PubMedID: 27438064 |
| Gene_locus related to this paper: pig-dpp4 |