EPZ031686

Name: EPZ031686
Brand: MedChemExpress
SKU: HY-19324
Rating: 5.0 (5 reviews)

Cat. No.: HY-19324 Purity: 99.60%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

EPZ031686 is an potent and orally active SMYD3 inhibitor and with an IC₅₀ value of 3 nM. EPZ031686 can be used for cancer research.

For research use only. We do not sell to patients.

EPZ031686 Chemical Structure

CAS No. : 2095161-11-6

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 416	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 416	In-stock	Estimated Time of Arrival: December 31
Solid
1 mg	USD 140	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 320	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 490	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1450	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 2150	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 5 publication(s) in Google Scholar

4 Publications Citing Use of MCE EPZ031686

: EPZ031686 purchased from MedChemExpress. Usage Cited in: Aging. 2020 Nov 3;12(21):21423-21445. [Abstract]; EPZ031686 (20 μM) reverses Ang II-induced PARP16 and RAECs senescence. Inhibition of Smyd3 could downregulate protein level of PARP16, together with reduced ER stress and senescence markers.

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View All Histone Methyltransferase Isoform Specific Products:

View All Isoforms

EZH1 EZH2 DOT1L SMYD2 SMYD3 SUV39H2/KMT1B EHMT2/G9a/KMT1C EHMT1/GLP/KMT1D SETDB1/KMT2G SETD2/KMT3A NSD2/MMSET/WHSC1 SETD7/KMT7 SETD8/KMT5A PRMT1 PRMT3 PRMT4 PRMT5 PRMT6 PRMT7 PRMT8

Biological Activity
Purity & Documentation
References
Customer Review

Description

EPZ031686 is an potent and orally active SMYD3 inhibitor and with an IC₅₀ value of 3 nM. EPZ031686 can be used for cancer research^[1].

IC₅₀ & Target^[1]

SMYD3

3 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
HEK-293T	IC₅₀	36 nM Compound: EPZ031686	Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by incubation for 24 hrs at 37 degC by Western blot analysis Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by incubation for 24 hrs at 37 degC by Western blot analysis	[PMID: 26985287]

In Vivo

EPZ031686 (1-50 mg/mL; p.o. and i.v.; Male CD-1 mice) has good bioavailability following oral dosing in mice^[1].

Pharmacokinetic Analysis in Male CD-1 mice^[1]

Route	Dose (mg/kg)	CL (mL/min/kg)	CL_r (mL/min/kg)	V_ss (L/kg)	t_max (h)	t_max (h)	C_max (ng/mL)	AUC_last (ng·h/mL)	AUC_{INF_obs} (ng·h/mL)
i.v.	1	27	5.3	2.3	1.7	/	/	603	616
p.o.	5	/	/	/	2.7/td>	0.89	345	1281	1479
p.o.	50	/	/	/	2.2	1.3	4693	21158	21170

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

591.09

Formula

C₂₆H₃₄ClF₃N₄O₄S

CAS No.

2095161-11-6

Appearance

Solid

Color

White to light yellow

SMILES

O=C(C1)NC2=C1C=C(C(N[C@@H]3C[C@H]4N(S(CC5CCN(CCCC(F)(F)F)CC5)(=O)=O)[C@H](CC4)C3)=O)C(Cl)=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 35 mg/mL (59.21 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.6918 mL	8.4589 mL	16.9179 mL
5 mM	0.3384 mL	1.6918 mL	3.3836 mL
10 mM	0.1692 mL	0.8459 mL	1.6918 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 30% PEG300 70% (20% SBE-β-CD in Saline)
Solubility: 10 mg/mL (16.92 mM); Suspended solution; Need ultrasonic and warming
Protocol 2

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.75 mg/mL (2.96 mM); Clear solution

This protocol yields a clear solution of ≥ 1.75 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (17.5 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 3

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 1.75 mg/mL (2.96 mM); Clear solution

This protocol yields a clear solution of ≥ 1.75 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (17.5 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 4

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 1.75 mg/mL (2.96 mM); Clear solution

This protocol yields a clear solution of ≥ 1.75 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (17.5 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.71%

Select Batch:

Data Sheet (276 KB) SDS (251 KB)

COA (251 KB) LCMS (97 KB)

Handling Instructions (2659 KB)

References

[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. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.6918 mL	8.4589 mL	16.9179 mL	42.2947 mL
	5 mM	0.3384 mL	1.6918 mL	3.3836 mL	8.4589 mL
	10 mM	0.1692 mL	0.8459 mL	1.6918 mL	4.2295 mL
	15 mM	0.1128 mL	0.5639 mL	1.1279 mL	2.8196 mL
	20 mM	0.0846 mL	0.4229 mL	0.8459 mL	2.1147 mL
	25 mM	0.0677 mL	0.3384 mL	0.6767 mL	1.6918 mL
	30 mM	0.0564 mL	0.2820 mL	0.5639 mL	1.4098 mL
	40 mM	0.0423 mL	0.2115 mL	0.4229 mL	1.0574 mL
	50 mM	0.0338 mL	0.1692 mL	0.3384 mL	0.8459 mL

EPZ031686 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

EPZ0316862095161-11-6EPZ 031686EPZ-031686Histone MethyltransferaseSMYD3cancerbioavailabilityInhibitorinhibitorinhibit

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EPZ031686

Customer Review

EPZ031686 Related Antibodies

4 Publications Citing Use of MCE EPZ031686

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•Related Screening Libraries:

•Related Small Molecules:

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View All Histone Methyltransferase Isoform Specific Products:

Biological Activity

Purity & Documentation

References

Customer Review

Molarity Calculator

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Complete Stock Solution Preparation Table

EPZ031686 Related Classifications

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