3-Methyltoxoflavin

Name: 3-Methyltoxoflavin
Brand: MedChemExpress
SKU: HY-111117
Rating: 4.5 (1 reviews)

Cat. No.: HY-111117 Purity: 99.65%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

3-Methyltoxoflavin is a potent Protein disulfide isomerase (PDI) inhibitor, with an IC₅₀ of 170 nM.

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

3-Methyltoxoflavin Chemical Structure

CAS No. : 32502-62-8

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 146	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 146	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 133	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 200	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 355	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 515	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

1 Publications Citing Use of MCE 3-Methyltoxoflavin

•Inflammation. 2023 Dec 6. [Abstract]

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

3-Methyltoxoflavin is a potent Protein disulfide isomerase (PDI) inhibitor, with an IC₅₀ of 170 nM.

IC₅₀ & Target

IC50: 170 nM (PDI)^[1].

Cellular Effect

Cell Line	Type	Value	Description	References
BHK-21	CC₅₀	6.2 μM Compound: 33	Cytotoxicity against hamster BHK-21 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay Cytotoxicity against hamster BHK-21 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay	[PMID: 36940609]
HepG2	CC₅₀	11 μM Compound: 33	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay	[PMID: 36940609]
Huh-7	CC₅₀	1.1 μM Compound: 33	Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36940609]
Huh-7	CC₅₀	1.2 μM Compound: 33	Cytotoxicity against human Huh-7 cells infected with yellow fever virus assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human Huh-7 cells infected with yellow fever virus assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36940609]
Huh-7	CC₅₀	3.2 μM Compound: 33	Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay	[PMID: 36940609]
Vero 76	CC₅₀	1.7 μM Compound: 33	Cytotoxicity against African green monkey Vero 76 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Cytotoxicity against African green monkey Vero 76 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	[PMID: 36940609]

In Vitro

3-Methyltoxoflavin is a potent Protein disulfide isomerase (PDI) inhibitor, with an IC₅₀ of 170 nM. 3-Methyltoxoflavin is toxic in a panel of human glioblastoma cell lines. From the screen, 3-Methyltoxoflavin emerges as the most cytotoxic inhibitor of PDI. Bromouridine labeling and sequencing (Bru-seq) of nascent RNA reveals that 3-Methyltoxoflavin induces Nrf2 antioxidant response, ER stress response, and autophagy. Specifically, 3-Methyltoxoflavin upregulates heme oxygenase 1 and SLC7A11 transcription and protein expression and represses PDI target genes such as TXNIP and EGR1. Interestingly, 3-Methyltoxoflavin-induced cell death does not proceed via apoptosis or necrosis, but by a mixture of autophagy and ferroptosis^[1].

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

Molecular Weight

207.19

Formula

C₈H₉N₅O₂

CAS No.

32502-62-8

Appearance

Solid

Color

Light yellow to yellow

SMILES

CC1=NN(C)C(C2=N1)=NC(N(C)C2=O)=O

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 : 50 mg/mL (241.32 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	4.8265 mL	24.1324 mL	48.2649 mL
5 mM	0.9653 mL	4.8265 mL	9.6530 mL
10 mM	0.4826 mL	2.4132 mL	4.8265 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: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 5 mg/mL (24.13 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 5 mg/mL.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: 5 mg/mL (24.13 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 5 mg/mL.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 2.5 mg/mL (12.07 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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: 99.65%

Select Batch:

Data Sheet (276 KB) SDS (479 KB)

COA (251 KB) LCMS (94 KB)

Handling Instructions (2659 KB)

References

[1]. Kyani A, et al. Discovery and Mechanistic Elucidation of a Class of Protein Disulfide Isomerase Inhibitors for the Treatment of Glioblastoma. ChemMedChem. 2018 Jan 22;13(2):164-177. [Content Brief]

Cell Assay
^[1]

The colon cancer cells are seeded in duplicate in 96-well plates at 7000-10000 cells per well. For the combination therapies, NAC is added to the well at the same time as 3-Methyltoxoflavin (35G8) (24 hours after plates are seeded), and Z-VAD-FMK and Necrostatin-1 are added to the well 1 hour prior to 3-Methyltoxoflavin addition. Cell growth inhibition is assessed by the cell viability rate. Cell viability is determined with the MTT assay. U87MG cells are seeded at 5000 cells per well in 96-well plates. Deferoxamine is added to cells in a five-point, three-fold dilution series from 400 μM. 3-Methyltoxoflavin is added immediately after in a five-point, three-fold dilution series from 100 μM. Cells are incubated with compounds for 12 hours^[1].

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

References

[1]. Kyani A, et al. Discovery and Mechanistic Elucidation of a Class of Protein Disulfide Isomerase Inhibitors for the Treatment of Glioblastoma. ChemMedChem. 2018 Jan 22;13(2):164-177. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.8265 mL	24.1324 mL	48.2649 mL	120.6622 mL
	5 mM	0.9653 mL	4.8265 mL	9.6530 mL	24.1324 mL
	10 mM	0.4826 mL	2.4132 mL	4.8265 mL	12.0662 mL
	15 mM	0.3218 mL	1.6088 mL	3.2177 mL	8.0441 mL
	20 mM	0.2413 mL	1.2066 mL	2.4132 mL	6.0331 mL
	25 mM	0.1931 mL	0.9653 mL	1.9306 mL	4.8265 mL
	30 mM	0.1609 mL	0.8044 mL	1.6088 mL	4.0221 mL
	40 mM	0.1207 mL	0.6033 mL	1.2066 mL	3.0166 mL
	50 mM	0.0965 mL	0.4826 mL	0.9653 mL	2.4132 mL
	60 mM	0.0804 mL	0.4022 mL	0.8044 mL	2.0110 mL
	80 mM	0.0603 mL	0.3017 mL	0.6033 mL	1.5083 mL
	100 mM	0.0483 mL	0.2413 mL	0.4826 mL	1.2066 mL