5ISM-6DG
General
Type : Pyrimidine, Pyrrolidine, Pyrazole
Chemical_Nomenclature : (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
Canonical SMILES : C1C(COC(C1N)C2=C(C=CC(=C2)F)F)N3CC4=C5N=CC=CN5N=C4C3
InChI : InChI=1S\/C19H19F2N5O\/c20-11-2-3-15(21)13(6-11)18-16(22)7-12(10-27-18)25-8-14-17(9-25)24-26-5-1-4-23-19(14)26\/h1-6,12,16,18H,7-10,22H2\/t12-,16+,18-\/m1\/s1
InChIKey : CEOQJSZJQDMDFU-PZPSRYQVSA-N
Other name(s) : CHEMBL3806216 || Q27456333 || 6DG || (2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
MW : 371.4
Formula : C19H19F2N5O
CAS_number :
PubChem : 24951732
UniChem : CEOQJSZJQDMDFU-PZPSRYQVSA-N
Target
Families : 5ISM-6DG ligand of proteins in family
DPP4N_Peptidase_S9
Structure :
5ISM
Protein :
human-DPP4
References (1)
| Title : The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors - Cox_2016_Bioorg.Med.Chem.Lett_26_2622 |
| Author(s) : Cox JM , Chu HD , Kuethe JT , Gao YD , Scapin G , Eiermann G , He H , Li X , Lyons KA , Metzger J , Petrov A , Wu JK , Xu S , Sinha-Roy R , Weber AE , Biftu T |
| Ref : Bioorganic & Medicinal Chemistry Lett , 26 :2622 , 2016 |
| Abstract : |
| PubMedSearch : Cox_2016_Bioorg.Med.Chem.Lett_26_2622 |
| PubMedID: 27106708 |
| Gene_locus related to this paper: human-DPP4 |