TAK-100
General
Type : Pyridine
Chemical_Nomenclature : 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
Canonical SMILES : CCC1=NC(=C(C(=C1CC(=O)O)C2=CC=C(C=C2)C)CN)CC(C)(C)C
InChI : InChI=1S\/C22H30N2O2\/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5\/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)
InChIKey : HQVOROHHYWZJLD-UHFFFAOYSA-N || AHWOGMYVGNUCOU-UHFFFAOYSA-N
Other name(s) : 01T,CHEMBL1672127,SCHEMBL4112626,CHEMBL1614722,BDBM50336820,D0Q4YP,[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-neopentylpyridin-3-yl]acetic acid
MW : 354.49
Formula : C22H30N2O2
CAS_number :
UniChem : HQVOROHHYWZJLD-UHFFFAOYSA-N || AHWOGMYVGNUCOU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : TAK-100 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3O95 Crystal Structure of Human DPP4 Bound to TAK-100
Protein : human-DPP4
References (1)
| Title : Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor - Miyamoto_2011_J.Med.Chem_54_831 |
| Author(s) : Miyamoto Y , Banno Y , Yamashita T , Fujimoto T , Oi S , Moritoh Y , Asakawa T , Kataoka O , Yashiro H , Takeuchi K , Suzuki N , Ikedo K , Kosaka T , Tsubotani S , Tani A , Sasaki M , Funami M , Amano M , Yamamoto Y , Aertgeerts K , Yano J , Maezaki H |
| Ref : Journal of Medicinal Chemistry , 54 :831 , 2011 |
| Abstract : Miyamoto_2011_J.Med.Chem_54_831 |
| ESTHER : Miyamoto_2011_J.Med.Chem_54_831 |
| PubMedSearch : Miyamoto_2011_J.Med.Chem_54_831 |
| PubMedID: 21218817 |
| Gene_locus related to this paper: human-DPP4 |