7372-44-3

Basic information

• Product Name: Δ^8,14-14-dehydrobufalin
• Synonyms: Δ^8,14-14-dehydrobufalin
• CAS NO: 7372-44-3
• Molecular Weight: 368.516
• Mol File: 7372-44-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Δ^8,14-14-dehydrobufalin(CAS DataBase Reference)
• NIST Chemistry Reference: Δ^8,14-14-dehydrobufalin(7372-44-3)
• EPA Substance Registry System: Δ^8,14-14-dehydrobufalin(7372-44-3)

Safety Data

• Hazardous Substances Data: 7372-44-3(Hazardous Substances Data)

Upstream product

• 465-20-3 bufalin 

Relevant articles and documents

A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells

Molecular docking studies have shown that Δ8,14- anhydrobufalin (1) exhibited more potent binding affinity on androgen receptor (AR) than Δ14,15-anhydrobufalin (2) and bufalin (3). To validate the docking results, compounds 1 and 2 were synthesized. The AR competitive binding assay indicated that the IC50 values of 1-3 were 1.9, >50 and >50 μM (relative binding affinity), respectively, which confirmed that our theoretical binding mode was reliable and predictable. Furthermore, compound 1 was found to show more potent inhibitory activity against the androgen dependent LNCaP cancer cells than the androgen independent PC3 cancer cells, but exhibited less inhibition on the Na+/K + ATPase as compared with the parent compound 3. To the best of our knowledge, compound 1 represented the first AR antagonist derived from bufadienolide discovered through a series of combined approaches of molecular docking and actual experimental validation.