410078-39-6

Basic information

• Product Name: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-(trifluoromethyl)phenyl]-
• CAS NO: 410078-39-6
• Molecular Formula: C16H9F3O4
• Molecular Weight: 322.24
• Mol File: 410078-39-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-(trifluoromethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-(trifluoromethyl)phenyl]-(410078-39-6)
• EPA Substance Registry System: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-(trifluoromethyl)phenyl]-(410078-39-6)

Safety Data

• Hazardous Substances Data: 410078-39-6(Hazardous Substances Data)

Upstream product

• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 110865-03-7 2-chloro-1-(2,4,6-trihydroxyphenyl)ethan-1-one 
• 480-66-0 2,4,6-trihydroxyacetophenone 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 108-73-6 3,5-dihydroxyphenol 

Relevant articles and documents

Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer

Poly (ADP-ribose) polymerase-1 (PARP-1) is a potential target for the discovery of chemosensitizers and anticancer drugs. Amentoflavone (AMF) is reported to be a selective PARP-1 inhibitor. Here, structural modifications and trimming of AMF have led to a series of AMF derivatives (9a-h) and apigenin-piperazine/piperidine hybrids (14a-p, 15a-p, 17a-h, and 19a-f), respectively. Among these compounds, 15l exhibited a potent PARP-1 inhibitory effect (IC50 = 14.7 nM) and possessed high selectivity to PARP-1 over PARP-2 (61.2-fold). Molecular dynamics simulation and the cellular thermal shift assay revealed that 15l directly bound to the PARP-1 structure. In in vitro and in vivo studies, 15l showed a potent chemotherapy sensitizing effect against A549 cells and a selective cytotoxic effect toward SK-OV-3 cells through PARP-1 inhibition. 15l·2HCl also displayed good ADME characteristics, pharmacokinetic parameters, and a desirable safety margin. These findings demonstrated that 15l·2HCl may serve as a lead compound for chemosensitizers and the (BRCA-1)-deficient cancer therapy.

Synthesis and anticancer effect of B-ring trifluoromethylated flavonoids

A series of B-ring trifluoromethylated flavonoids derivatives were prepared and tested in vitro against human gastric adenocarcinoma cell line (SGC-7901). Among these derivatives, 5,7-dipropoxy-2-(4′ -trifluoromethylphenyl)-chromen-4-one 5c had the strongest activity against SGC-7901 cell.