AZ505 ditrifluoroacetate

Name: AZ505 ditrifluoroacetate
Brand: MedChemExpress
SKU: HY-15226A
Rating: 5.0 (22 reviews)

Cat. No.: HY-15226A Purity: 99.91%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with IC₅₀ of 0.12 μM.

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

AZ505 ditrifluoroacetate Chemical Structure

CAS No. : 1035227-44-1

Size	Price	Stock	Quantity
Solid + Solvent
10 mM * 1 mL in DMSO ready for reconstitution	USD 239	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 239	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 170	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 270	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 390	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 620	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 837	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 22 publication(s) in Google Scholar

Other Forms of AZ505 ditrifluoroacetate:

AZ505 In-stock

19 Publications Citing Use of MCE AZ505 ditrifluoroacetate

: AZ505 ditrifluoroacetate purchased from MedChemExpress. Usage Cited in: Mol Carcinog. 2023 Apr 10. [Abstract]; AZ505 ditrifluoroacetate (AZ505; 20 μM; 48 h) decreases the expression of c-Myc in PC3 and DU145 cells.

: AZ505 ditrifluoroacetate purchased from MedChemExpress. Usage Cited in: Cell Death Dis. 2018 Feb 27;9(3):326. [Abstract]; Inhibition of SMYD2 with AZ505 (40 μM, 2 h) decreases the methylation and phosphorylation of STAT3 and p65, but dpes not affect their expression in MDA-MB231 cells.

: AZ505 ditrifluoroacetate purchased from MedChemExpress. Usage Cited in: J Clin Invest. 2017 Jun 30;127(7):2751-2764. [Abstract]; PKD-associated signaling pathways can be affected by SMYD2 in Pkd1 mutant renal epithelial cells and cystic tissues. Western blot analysis of the phosphorylation of ERK, S6, AKT, and Rb as well as the total protein levels of these proteins in Pkd1-null MEK cells with or without AZ505 treatment for 2 hours.

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

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 SETD7/KMT7 SETD8/KMT5A PRMT1 PRMT3 PRMT4 PRMT5 PRMT6 PRMT7 PRMT8

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with IC₅₀ of 0.12 μM.

IC₅₀ & Target

IC50: 0.12 μM (SMYD2)^[1]

In Vitro

AZ505 ditrifluoroacetate is highly selective and shows an activity at submicromolar concentrations in vitro. The IC₅₀ of AZ505 ditrifluoroacetate for SMYD2 is 0.12 μM, which is >600-fold greater than the IC₅₀s of AZ505 ditrifluoroacetate for other histone methyltransferases, such as SMYD3 (IC₅₀>83.3 μM), DOT1L (IC₅₀>83.3 μM) and AZ505 ditrifluoroacetate (IC₅₀>83.3 μM)^[1]. AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with an IC₅₀ of 0.12 μM. The human SMYD (SET and MYND domain-containing protein) family of protein lysine methyltransferases contains five members (SMYD1-5). Moreover, AZ505 ditrifluoroacetate fails to inhibit the enzymatic activities of a panel of protein lysine methyltransferases. AZ505 ditrifluoroacetate is nominated for ITC binding study with K_d of 0.5 μM. In contrast, the calculated K_d for the p53 substrate peptide is 3.7 μM. AZ505 ditrifluoroacetate binding to SMYD2 is driven primarily by entropy, which often suggests that binding is mediated by hydrophobic interactions with few specific hydrogen bonds^[2].

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

Molecular Weight

805.59

Formula

C₃₃H₄₀Cl₂F₆N₄O₈

CAS No.

1035227-44-1

Appearance

Solid

Color

White to light yellow

SMILES

O=C(N(C1CCCCC1)CCNCCC2=C(OCC(N3)=O)C3=C(O)C=C2)CCNCCC4=CC=C(Cl)C(Cl)=C4.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

DMSO : ≥ 125 mg/mL (155.17 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.2413 mL	6.2066 mL	12.4133 mL
5 mM	0.2483 mL	1.2413 mL	2.4827 mL
10 mM	0.1241 mL	0.6207 mL	1.2413 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, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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

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: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (2.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (2.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (2.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 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 (20.8 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

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: 99.91%

Select Batch:

Data Sheet (276 KB) SDS (252 KB)

COA (248 KB) HNMR (223 KB) LCMS (336 KB)

Handling Instructions (2659 KB)

References

[1]. Komatsu S, et al. Overexpression of SMYD2 contributes to malignant outcome in gastric cancer. Br J Cancer. 2015 Jan 20;112(2):357-64. [Content Brief]

[2]. Ferguson AD, et al. Structural basis of substrate methylation and inhibition of SMYD2. Structure. 2011 Sep 7;19(9):1262-73. [Content Brief]

Kinase Assay
^[2]

SMYD2 is expressed in insect cells and purified. AlphaScreen technology is used to screen our chemical library for small molecule inhibitors of SMYD2. Methylation (12 μL) reactions are carried out in TDT buffer (50 mM Tris-HCl [pH 9.0], 2 mM DTT, and 0.01% Tween 20) at room temperature using 1.25 nM SMYD2 protein, 200 nM SAM, and 100 nM biotinylated p53 peptide substrate (Biotin-aminohexanoyl-GSRAHSSHLKSKKGQSTSRH) in low volume 384-well plates. Following a 75 min incubation period, reactions are quenched by the addition of 5 μL of detection solution (20 mM HEPES [pH 7.4], 1.7 mg/mL BSA, 340 mM NaCl, 680 μM SAH, 0.04 mg/mL Streptavidin-coated AlphaScreen donor, and Protein A-coated acceptor beads), and 1 nM of a custom p53K370me1 polyclonal antibody. Reaction plates are incubated overnight in the dark at room temperature, and read using an Envision 2101 Multi-label Reader. Compounds showing >50% inhibition of SMYD2 are nominated for concentration dose-response determination, and are also subjected to an artifact assay. Seven compound concentrations are selected beginning at 30 μM with six half-log dilution steps. The artifact assay conditions are identical to those in the SMYD2 enzymatic activity assay, except for the absence of SMYD2 protein and the presence of 1 nM methylated p53 peptide. IC₅₀ values are calculated from dose-response data using in-house software^[2].

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

References

[1]. Komatsu S, et al. Overexpression of SMYD2 contributes to malignant outcome in gastric cancer. Br J Cancer. 2015 Jan 20;112(2):357-64. [Content Brief]

[2]. Ferguson AD, et al. Structural basis of substrate methylation and inhibition of SMYD2. Structure. 2011 Sep 7;19(9):1262-73. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.2413 mL	6.2066 mL	12.4133 mL	31.0332 mL
	5 mM	0.2483 mL	1.2413 mL	2.4827 mL	6.2066 mL
	10 mM	0.1241 mL	0.6207 mL	1.2413 mL	3.1033 mL
	15 mM	0.0828 mL	0.4138 mL	0.8276 mL	2.0689 mL
	20 mM	0.0621 mL	0.3103 mL	0.6207 mL	1.5517 mL
	25 mM	0.0497 mL	0.2483 mL	0.4965 mL	1.2413 mL
	30 mM	0.0414 mL	0.2069 mL	0.4138 mL	1.0344 mL
	40 mM	0.0310 mL	0.1552 mL	0.3103 mL	0.7758 mL
	50 mM	0.0248 mL	0.1241 mL	0.2483 mL	0.6207 mL
	60 mM	0.0207 mL	0.1034 mL	0.2069 mL	0.5172 mL
	80 mM	0.0155 mL	0.0776 mL	0.1552 mL	0.3879 mL
	100 mM	0.0124 mL	0.0621 mL	0.1241 mL	0.3103 mL