| Identification | Back Directory | [Name]
BCI-121 | [CAS]
432529-82-3 | [Synonyms]
BCI-121
BCI-121;BCI 121;BCI121
1-Piperidineacetamide, 4-(aminocarbonyl)-N-(4-bromophenyl)-
1-{2-[(4-bromophenyl)amino]-2-oxoethyl}piperidine-4-carboxamide | [Molecular Formula]
C14H18BrN3O2 | [MDL Number]
MFCD02149239 | [MOL File]
432529-82-3.mol | [Molecular Weight]
340.22 |
| Chemical Properties | Back Directory | [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) | [form ]
powder | [pka]
13.82±0.70(Predicted) | [color ]
white to beige | [InChI]
1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19) | [InChIKey]
KSUYPIXCRPCPGF-UHFFFAOYSA-N | [SMILES]
Brc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)N |
| Hazard Information | Back Directory | [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 |
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