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EPZ031686
本产品不向个人销售,仅用作科学研究,不用于任何人体实验及非科研性质的动物实验。
EPZ031686图片
CAS NO:1808011-22-4
包装与价格:
包装价格(元)
1mg电议
5mg电议
10mg电议
50mg电议

产品介绍
EPZ031686 是一种有效且具有口服活性的 SMYD3 抑制剂,IC50 值为 3 nM。 EPZ031686 可用于癌症研究。
Cas No.1808011-22-4
化学名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 SMILESClC1=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
分子式C26H34ClF3N4O4S
分子量591.09
溶解度Soluble in DMSO
储存条件Store at -20°C
General tipsFor obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.
Shipping ConditionEvaluation sample solution : ship with blue ice
All other available size: ship with RT , or blue ice upon request
产品描述

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.