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
IUPHAR :
Wikipedia :
Target
Families : D3C ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 4J3J Crystal Structure of DPP-IV with Compound C3
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 : Zhu_2013_ChemMedChem_8_1104 |
| ESTHER : Zhu_2013_ChemMedChem_8_1104 |
| PubMedSearch : Zhu_2013_ChemMedChem_8_1104 |
| PubMedID: 23671024 |
| Gene_locus related to this paper: human-DPP4 |