MK0626
General
Type : Pyridine,Pyrrolidine,Triazol
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-6-yl)phenyl]butanamide
Canonical SMILES : CN(C)C(=O)C(C1=CC=C(C=C1)C2=CN3C(=NC=N3)C=C2)C(C(=O)N4CCC(C4)F)N
InChI : InChI=1S\/C22H25FN6O2\/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16\/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3\/t17-,19-,20-\/m0\/s1
InChIKey : ZNHVIJAGMFQGMS-IHPCNDPISA-N
Other name(s) : DB08504,MK-0626,CHEMBL537869,CHEMBL237337,6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM,2fjp,SCHEMBL14591260,BDBM50221972
MW : 424.48
Formula : C22H25FN6O2
CAS_number :
UniChem : ZNHVIJAGMFQGMS-IHPCNDPISA-N
IUPHAR :
Wikipedia :
Target
Families : MK0626 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2FJP Human dipeptidyl peptidase IV\/CD26 in complex with an inhibitor
Protein : human-DPP4
References (1)
| Title : (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]tr iazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes - Edmondson_2006_J.Med.Chem_49_3614 |
| Author(s) : Edmondson SD , Mastracchio A , Mathvink RJ , He J , Harper B , Park YJ , Beconi M , Di Salvo J , Eiermann GJ , He H , Leiting B , Leone JF , Levorse DA , Lyons K , Patel RA , Patel SB , Petrov A , Scapin G , Shang J , Roy RS , Smith A , Wu JK , Xu S , Zhu B , Thornberry NA , Weber AE |
| Ref : Journal of Medicinal Chemistry , 49 :3614 , 2006 |
| Abstract : Edmondson_2006_J.Med.Chem_49_3614 |
| ESTHER : Edmondson_2006_J.Med.Chem_49_3614 |
| PubMedSearch : Edmondson_2006_J.Med.Chem_49_3614 |
| PubMedID: 16759103 |
| Gene_locus related to this paper: human-DPP4 |