D3C

close to Sitagliptin and Triazolopiperazine-based-beta-amino-acid

General

Type : Trifluoro, Pyrrolidine, Carboxamide

Chemical_Nomenclature : N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Canonical SMILES : C1CN2C(=CC=C2C(F)(F)F)CN1C(=O)NCCC(CC3=CC(=C(C=C3F)F)F)N

InChI : InChI=1S\/C19H20F6N4O\/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25\/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)\/t12-\/m0\/s1

InChIKey : LULDEXNDCODGTE-LBPRGKRZSA-N

Other name(s) : N-[(3r)-3-Amino-4-(2,4,5-Trifluorophenyl)butyl]-6-(Trifluoromethyl)-3,4-Dihydropyrrolo[1,2-A]pyrazine-2(1h)-Carboxamide  ||  D3C


MW : 434.38

Formula : C19H20F6N4O

CAS_number :

PubChem : 72715987

UniChem : LULDEXNDCODGTE-LBPRGKRZSA-N

Target

Families : D3C ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
4J3J

Protein :
human-DPP4

References (1)

Title : Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors - Zhu_2013_ChemMedChem_8_1104
Author(s) : Zhu L , Li Y , Qiu L , Su M , Wang X , Xia C , Qu Y , Li J , Xiong B , Shen J
Ref : ChemMedChem , 8 :1104 , 2013
Abstract :
PubMedSearch : Zhu_2013_ChemMedChem_8_1104
PubMedID: 23671024
Gene_locus related to this paper: human-DPP4