Diazepanone-Analog-1

General

Type : Trifluoro, Diazepan, Azepane

Chemical_Nomenclature : (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one

Canonical SMILES : C1CNC(=O)C(N(C1)C(=O)CC(CC2=CC(=C(C=C2F)F)F)N)CC(F)(F)F

InChI : InChI=1S\/C17H19F6N3O2\/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23\/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)\/t10-,14-\/m1\/s1

InChIKey : RMDAPSXWBVPVOG-QMTHXVAHSA-N

Other name(s) : (3r)-4-[(3r)-3-Amino-4-(2,4,5-Trifluorophenyl)butanoyl]-3-(2,2,2-Trifluoroethyl)-1,4-Diazepan-2-One  ||  872  ||  Diazepanone Analog 1  ||  SCHEMBL388929  ||  CHEMBL217271  ||  BDBM13525


MW : 411.34

Formula : C17H19F6N3O2

CAS_number :

PubChem : 11592154

UniChem : RMDAPSXWBVPVOG-QMTHXVAHSA-N

Target

Families : Diazepanone-Analog-1 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
2IIT

Protein :
human-DPP4

References (2)

Title : Optimization of 1,4-diazepan-2-one containing dipeptidyl peptidase IV inhibitors for the treatment of type 2 diabetes - Liang_2007_Bioorg.Med.Chem.Lett_17_1903
Author(s) : Liang GB , Qian X , Feng D , Biftu T , Eiermann G , He H , Leiting B , Lyons K , Petrov A , Sinha-Roy R , Zhang B , Wu J , Zhang X , Thornberry NA , Weber AE
Ref : Bioorganic & Medicinal Chemistry Lett , 17 :1903 , 2007
Abstract :
PubMedSearch : Liang_2007_Bioorg.Med.Chem.Lett_17_1903
PubMedID: 17291750

Title : (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)- 1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes - Biftu_2007_Bioorg.Med.Chem.Lett_17_49
Author(s) : Biftu T , Feng D , Qian X , Liang GB , Kieczykowski G , Eiermann G , He H , Leiting B , Lyons K , Petrov A , Sinha-Roy R , Zhang B , Scapin G , Patel S , Gao YD , Singh S , Wu J , Zhang X , Thornberry NA , Weber AE
Ref : Bioorganic & Medicinal Chemistry Lett , 17 :49 , 2007
Abstract :
PubMedSearch : Biftu_2007_Bioorg.Med.Chem.Lett_17_49
PubMedID: 17055272
Gene_locus related to this paper: human-DPP4