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 :

PubChem : 11996845,    53326686

UniChem : HQVOROHHYWZJLD-UHFFFAOYSA-N,    AHWOGMYVGNUCOU-UHFFFAOYSA-N

Target

Families : TAK-100 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
3O95

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 :
PubMedSearch : Miyamoto_2011_J.Med.Chem_54_831
PubMedID: 21218817
Gene_locus related to this paper: human-DPP4