TAK-294
General
Type : Isoquinoline
Chemical_Nomenclature : 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxyacetamide
Canonical SMILES : CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=CC=C3)CN
InChI : InChI=1S\/C22H25N3O3\/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27\/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
InChIKey : GODOFGUHKFCHSR-UHFFFAOYSA-N
Other name(s) : LUI || 35a || Isoquinolone B || SCHEMBL299831 || CHEMBL1851820 || BDBM123780 || 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydro-6-isoquinolinyl]oxy]acetamide || 447416-95-7
MW : 379.46
Formula : C22H25N3O3
CAS_number :
PubChem : 10271081
UniChem : GODOFGUHKFCHSR-UHFFFAOYSA-N
Target
Families : TAK-294 ligand of proteins in family
DPP4N_Peptidase_S9
Structure :
3OPM
Protein :
human-DPP4
References (2)
| Title : Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554 - Banno_2011_Bioorg.Med.Chem_19_4953 |
| Author(s) : Banno Y , Miyamoto Y , Sasaki M , Oi S , Asakawa T , Kataoka O , Takeuchi K , Suzuki N , Ikedo K , Kosaka T , Tsubotani S , Tani A , Funami M , Tawada M , Yamamoto Y , Aertgeerts K , Yano J , Maezaki H |
| Ref : Bioorganic & Medicinal Chemistry , 19 :4953 , 2011 |
| Abstract : |
| PubMedSearch : Banno_2011_Bioorg.Med.Chem_19_4953 |
| PubMedID: 21764322 |
| Gene_locus related to this paper: human-DPP4 |
| Title : Discovery of potent, selective, and orally bioavailable quinoline-based dipeptidyl peptidase IV inhibitors targeting Lys554 - Maezaki_2011_Bioorg.Med.Chem_19_4482 |
| Author(s) : Maezaki H , Banno Y , Miyamoto Y , Moritoh Y , Asakawa T , Kataoka O , Takeuchi K , Suzuki N , Ikedo K , Kosaka T , Sasaki M , Tsubotani S , Tani A , Funami M , Yamamoto Y , Tawada M , Aertgeerts K , Yano J , Oi S |
| Ref : Bioorganic & Medicinal Chemistry , 19 :4482 , 2011 |
| Abstract : |
| PubMedSearch : Maezaki_2011_Bioorg.Med.Chem_19_4482 |
| PubMedID: 21741847 |
| Gene_locus related to this paper: human-DPP4 |