EPZ031686 |
| Catalog No.: GC16224 |
A SMYD3 inhibitor
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
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Purity: >99.50%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
IC50: 3 nM
EPZ031686 is the first SMYD3 inhibitor.
Set and Mynd Domain containing 3 (SMYD3), a lysine methyltransferase (KMT) expressed at high levels in a number of different cancer histologies, is reported to be associated with a poor clinical prognosis.
In vitro: EPZ031686 was the first SMYD3 inhibitor found to show double-digit nanomolar cellular activity. In addition, EPZ031686 displayed noncompetitive inhibition to both SAM and MEKK2 with a Ki = 1.2 and 1.1 nM, respectively. Moreover, EPZ031686 showed less than 30% inhibition against 16 histone methyltransferase targets at a 10 μM [1].
In vivo: Male mice i.v. administered a single dose of EPZ031686 at 1 mg/kg showed a moderate clearance of 27 mL/min/kg, which was in very good agreement with the microsomal data, with a volume of distribution at steady state of 2.3 L/kg, translating to a terminal half-life of 1.7 h. Around 20% of the administered dose was excreted unchanged in urine after 24 h, equivalent to a renal clearance of 5.3 mL/min/kg. Bioavailability of 48 and 69 was observed at 5 and 50 mg/kg, respectively, resulting in the EPZ031686 unbound blood concentration remaining above the SMYD3 IC50 value for more than 12 h after a 50 mg/kg p.o. administration [1].
Clinical trial: Up to now, EPZ031686 is still in the preclinical development stage.
Reference:
[1] Mitchell LH et al. Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. ACS Med Chem Lett. 2015 Aug 27;7(2):134-8.
| Cas No. | 1808011-22-4 | SDF | |
| Chemical Name | 6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluorobutyl)piperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide | ||
| Canonical SMILES | ClC1=CC(N2)=C(CC2=O)C=C1C(N[C@@]3([H])C[C@@](N4S(CC(CC5)CCN5CCCC(F)(F)F)(=O)=O)([H])CC[C@@]4([H])C3)=O | ||
| Formula | C26H34ClF3N4O4S | M.Wt | 591.09 |
| Solubility | Soluble in DMSO | Storage | Store at -20°C |
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. | ||
| Shipping Condition | Evaluation sample solution : ship with blue ice All other available size: ship with RT , or blue ice upon request |
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Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.
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