U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H30N2O2
Molecular Weight 354.4858
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-100

SMILES

CCC1=C(CC(O)=O)C(C2=CC=C(C)C=C2)=C(CN)C(CC(C)(C)C)=N1

InChI

InChIKey=HQVOROHHYWZJLD-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Originator

Approval Year

PubMed

PubMed

TitleDatePubMed
Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor.
2011-02-10
Name Type Language
2-(5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(P-TOLYL)-3-PYRIDYL)ACETIC ACID
Preferred Name English
TAK-100
Common Name English
5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)-3-PYRIDINEACETIC ACID
Common Name English
3-PYRIDINEACETIC ACID, 5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11996845
Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025
PRIMARY
FDA UNII
6TEM3HH2EG
Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025
PRIMARY
CAS
907609-33-0
Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025
PRIMARY