Tetrahydroisoquinoline-derivative
General
Type : Isoquinoline,Carboxamide
Chemical_Nomenclature : (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Canonical SMILES : C1C(N(CC2=CC=CC=C21)C(=O)CC(CC3=CC=CC=C3F)N)C(=O)N
InChI : InChI=1S\/C20H22FN3O2\/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26\/h1-8,16,18H,9-12,22H2,(H2,23,26)\/t16-,18+\/m1\/s1
InChIKey : OEVYDSSAPNIURZ-AEFFLSMTSA-N
Other name(s) : (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide,CHEMBL381806,CHEBI:39484,(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide,(S)-2-[(R)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide,2buc,008
MW : 355.41
Formula : C20H22FN3O2
CAS_number :
PubChem : 5494385
UniChem : OEVYDSSAPNIURZ-AEFFLSMTSA-N
IUPHAR :
Wikipedia :
Target
Families : Tetrahydroisoquinoline-derivative ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2BUC Crystal structure of porcine dipeptidyl peptidase IV (CD26) in complex with a tetrahydroisoquinoline inhibitor
Protein : pig-dpp4
References (1)
| Title : The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors - Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| Author(s) : Nordhoff S , Cerezo-Galvez S , Feurer A , Hill O , Matassa VG , Metz G , Rummey C , Thiemann M , Edwards PJ |
| Ref : Bioorganic & Medicinal Chemistry Lett , 16 :1744 , 2006 |
| Abstract : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| ESTHER : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| PubMedSearch : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| PubMedID: 16376544 |
| Gene_locus related to this paper: pig-dpp4 |