Compound class:
Synthetic organic
Comment: This compound is reported to disrupt the β-catenin/B-cell lymphoma 9 (BCL9) interaction, by binding to β-catenin [1]. It was designed to block Wnt signalling and expression of oncogenic Wnt target genes, as a mechanism to target colorectal cancer. Since approximately 80% of colorectal cancers carry activating Wnt/β-catenin pathway mutations, this pathway is an active molecular target for oncology therapeutic development.
The chemical structure shown here is used to represent the racemic mixture of (S)-41 and (R)-41. Experiments comparing the in vitro activities of the isolated enantiomers and the racemate, showed that the chiral centers in the molecule do not significantly alter its binding interaction with β-catenin [1]. |
|
Classification | |
Compound class | Synthetic organic |
IUPAC Name |
2-(3-(1-((4′-Isopropyl-[1,1′-biphenyl]-3-yl)sulfonyl)piperidin-3-yl)phenoxy)-2-methyl-N-((4-(trifluoromethyl)phenyl)sulfonyl)propanamide |
Database Links | |
GtoPdb PubChem SID | 479821122 |
PubChem CID | 167993633 |
Search Google for chemical match using the InChIKey | QQIAMXDPJRMMQZ-UHFFFAOYSA-N |
Search Google for chemicals with the same backbone | QQIAMXDPJRMMQZ |
UniChem Compound Search for chemical match using the InChIKey | QQIAMXDPJRMMQZ-UHFFFAOYSA-N |
UniChem Connectivity Search for chemical match using the InChIKey | QQIAMXDPJRMMQZ-UHFFFAOYSA-N |