BCI-121 Chemical Properties

Boiling point:

576.1±50.0 °C(Predicted)

Density 

1.474±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

DMF:30.0(Max Conc. mg/mL);88.18(Max Conc. mM)
DMSO:66.0(Max Conc. mg/mL);193.99(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.97(Max Conc. mM)
Ethanol:39.0(Max Conc. mg/mL);114.63(Max Conc. mM)

pka

13.82±0.70(Predicted)

form 

powder

color 

white to beige

Safety Information

HS Code 

2933399990

BCI-121 Usage And Synthesis

Uses

BCI-121 is a SMYD3 inhibitor that impairs the proliferation of cancer cell.

Biochem/physiol Actions

BCI-121 is a substrate-competitive SMYD3 inhibitor that reduces nuclear histone H3 lys4 di- and tri-methylation level (by 50%/H3K4me2 and 40%H3K4me3 in HT29 cells; 100 μM BCI-121 for 48 h), downregulates known SMYD3 target genes transcription, and selectively affects SMYD3-dependent proliferation of cancer cultures (46%/HT29 and 54%/HCT116 proliferation reduction; 100 μM BCI-121 for 72 h) with little antiproliferation efficacy toward low SMYD3-expressing cancer cells. BCI-121 targets SMYD3 via direct affinity interaction (kon 357.7/M/s; koff 4.23×10-3/s; KD=koff/kon = 11.8 μM) and effectively competes against histone for SMYD3 binding (%inhibition/[histone H4 peptide]:[BCI-121] ratio = 36.5%/1:1 and 51.0%/1:2.5).

IC 50

SMYD3

References

[1] Peserico A, et al. A SMYD3 Small-Molecule Inhibitor Impairing Cancer Cell Growth. J Cell Physiol. 2015 Oct;230(10):2447-2460. DOI:10.1002/jcp.24975