EPZ031686

SKU: orb1296092

Description

EPZ031686 is a potent and selective SMYD3 inhibitor with a 3 nM IC50. It is a valuable chemical probe for investigating the role of SMYD3 in oncology research, supporting both in vitro biochemical assays and in vivo cancer model studies.

Research Area

Epigenetics & Chromatin

Key Properties

• CAS Number: 1808011-22-4
• MW: 591.09
• Purity: 97.91% (May vary between batches)
• Formula: C₂₆H₃₄ClF₃N₄O₄S
• SMILES: FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1
• Target: Histone Methyltransferase
• Solubility: DMSO:30 mg/mL (50.75 mM);10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.69 mM)

Bioactivity

• Target IC50:
  SMYD3:3 nM (cell free)
• In Vivo:
  In male CD-1 mice, EPZ031686 (1 mg/kg; i.v.) shows a moderate clearance (CL) of 27 ± 3.9 mL/min/kg, in very good agreement with the mouse microsomal data, with a volume of distribution at steady state (Vss) of 2.3 ± 0.29 L/kg, translating to a mean terminal half-life (t1/2) of 1.7 ± 0.13 h. After the treatment of EPZ031686 (5 and 50 mg/kg; p.o.), both Cmax and AUC0‑last increased in a slightly higher than dose-proportional manner, while t1/2 remained unchanged. Bioavailability (F) of 48 ± 5.4% and 69 ± 8.2%, respectively, leading to EPZ031686 unbound blood concentration remaining above the SMYD3 ICW IC50 value for more than 12 h after a 50 mg/kg p.o..
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

HistoneMethyltransferase, Histone Methyltransferase, EPZ 031686, EPZ031686, EPZ-031686, SMYD3

Compound Identifiers

PubChem CID

118946372