67014-53-3

Basic information

• Product Name: Benzaldehyde, 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-
• CAS NO: 67014-53-3
• Molecular Formula: C24H19N3O3
• Molecular Weight: 397.433
• Mol File: 67014-53-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzaldehyde, 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzaldehyde, 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-(67014-53-3)
• EPA Substance Registry System: Benzaldehyde, 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-(67014-53-3)

Safety Data

• Hazardous Substances Data: 67014-53-3(Hazardous Substances Data)

Upstream product

• 5720-07-0 4-methoxyphenylboronic acid 
• 90723-86-7 2,4-dichloro-6-(4-methoxy-phenyl)-[1,3,5]triazine 
• 87199-17-5 4-formylphenylboronic acid, 
• 21902-35-2 2-chloro-4,6-bis(4-methoxyphenyl)-1,3,5-triazine 

Relevant articles and documents

A new class of 1,3,5-triazine-based selective estrogen receptor degraders (SERDs): Lead optimization, molecular docking and dynamic simulation

Selective estrogen receptor degrader (SERD) that acts as not only ER antagonist, but also ER degrader, would be useful for the treatment for drug-resistance ER+ breast cancer. However, most of currently available SERD candidates involve very limited molecular scaffolds and are still in clinical trials. In this study, we introduced a 1,3,5-triazine ring into a homobibenzyl motif extracted from amounts of ER ligands and synthesized sixteen SERDs bearing acrylic acid or acrylic amide side chains that possess both ERα antagonism and degradation properties. And all compounds were screened for their anti-proliferative activity against ER+ MCF-7 and Ishikawa cell lines. Among them, compound XHA1614 displayed potent growth inhibition activity against MCF-7 and Ishikawa cells with IC50 values of 3.15 μM and 3.11 μM, respectively. Moreover, XHA1614 could dramatically degrade ER level at 1 nM in a Western blotting assay and afforded an outstanding antagonistic activity via suppressing the expression of progesterone receptor messenger RNA in MCF-7 cells in a RT-PCR assay. Further molecular docking and dynamic simulation on properly selected derivative furnished insights into its binding profile within ERα. Our findings suggest that the 1,3,5-triazine core was a feasible alternative to currently reported SERD scaffold, and provide information that will be useful for further development of promising SERDs candidates for breast cancer therapies.