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Antioxidant agent-4

Cat No.:V44549 Purity: ≥98%
Antioxidant agent-4 (Compound 2) is a potent antioxidant molecule with anti-lipid peroxidation activity.
Antioxidant agent-4
Antioxidant agent-4 Chemical Structure CAS No.: 50901-34-3
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Antioxidant agent-4 (Compound 2) is a potent antioxidant molecule with anti-lipid peroxidation activity.
Antioxidant agent-4 (Compound 2) is an effective antioxidant molecule with notable antilipid peroxidative activity. Its chemical name is 7-methoxybenzo[d][1,3]dioxol-5-ol. The compound has a molecular formula of C8H8O4 and a molecular weight of 168.15. It is a potent antioxidant used in research to study oxidative stress and lipid peroxidation.
Biological Activity I Assay Protocols (From Reference)
Targets
The specific biological target of Antioxidant agent-4 is not defined. Its mechanism of action is based on its antioxidant properties, where it scavenges free radicals and inhibits lipid peroxidation. By neutralizing reactive oxygen species, it protects cells and biomolecules from oxidative damage. It does not target a specific receptor or enzyme but rather acts as a chemical antioxidant.
ln Vitro
In vitro, Antioxidant agent-4 demonstrates effective antioxidant activity, specifically antilipid peroxidative activity. It is capable of inhibiting the peroxidation of lipids, which is a key process in oxidative stress. Specific IC50 values for its antioxidant activity are not provided in the available sources. Its activity is typically assessed in cell-free or cell-based assays measuring oxidative stress markers.
ln Vivo
Specific in vivo activity data for Antioxidant agent-4 are not provided in the available sources. As an antioxidant molecule, it could potentially have beneficial effects in animal models of oxidative stress-related diseases, such as cardiovascular disease, neurodegeneration, or inflammation. However, no specific in vivo studies are described.
Enzyme Assay
A cell-free assay for Antioxidant agent-4 would involve measuring its ability to scavenge free radicals or inhibit lipid peroxidation. For example, the compound's ability to reduce DPPH (2,2-diphenyl-1-picrylhydrazyl) radical or to inhibit the oxidation of linoleic acid can be assessed. These assays quantify the compound's antioxidant capacity. Specific protocols are not detailed.
Cell Assay
Cellular assays for Antioxidant agent-4 would typically involve treating cells with an oxidative stress-inducing agent, such as hydrogen peroxide, and measuring the compound's ability to protect cells from damage. Markers of oxidative stress, such as reactive oxygen species (ROS) levels, lipid peroxidation, and cell viability, can be assessed. Specific protocols are not detailed.
Animal Protocol
In vivo animal experiments for Antioxidant agent-4 are not described in the available sources. As an antioxidant compound, it could be evaluated in animal models of oxidative stress, such as those induced by toxins or high-fat diets. In such studies, the compound would be administered, and markers of oxidative stress and tissue damage would be measured. However, no specific protocols are provided.
ADME/Pharmacokinetics
Antioxidant agent-4 is a small molecule with a molecular weight of 168.15. It is soluble in DMSO at 100 mg/mL. Its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion, are not reported. For storage, it is recommended to keep the compound at 4°C under nitrogen.
Toxicity/Toxicokinetics
Toxicity data for Antioxidant agent-4 are not provided in the available sources. As an antioxidant compound, it is likely to have a favorable safety profile, but no specific toxicological information is available. The compound is intended for research use only and not for human consumption.
References

[1]. QSAR of antilipid peroxidative activity of substituted benzodioxoles using chemometric tools. J Comput Chem. 2009 Dec;30(16):2712-22.

[2]. QSAR of antilipid peroxidative activity of substituted benzodioxoles using chemometric tools. J Comput Chem. 2009 Dec;30(16):2712-22.

Additional Infomation
Antioxidant agent-4 (CAS: 50901-34-3) is a potent antioxidant molecule with antilipid peroxidative activity. It is also known as Compound 2 and 7-methoxybenzo[d][1,3]dioxol-5-ol. The compound is used in research to study oxidative stress and lipid peroxidation. Its molecular formula is C8H8O4 and its molecular weight is 168.15. It is not an approved drug and is strictly for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C8H8O4
Molecular Weight
168.147
Exact Mass
168.042
CAS #
50901-34-3
PubChem CID
11030219
Appearance
Typically exists as solid at room temperature
LogP
1.129
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Heavy Atom Count
12
Complexity
161
Defined Atom Stereocenter Count
0
SMILES
COC1C2OCOC=2C=C(O)C=1
InChi Key
HKTCSLUVTXNZKH-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H8O4/c1-10-6-2-5(9)3-7-8(6)12-4-11-7/h2-3,9H,4H2,1H3
Chemical Name
7-methoxy-1,3-benzodioxol-5-ol
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~594.71 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (14.87 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (14.87 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.9471 mL 29.7354 mL 59.4707 mL
5 mM 1.1894 mL 5.9471 mL 11.8941 mL
10 mM 0.5947 mL 2.9735 mL 5.9471 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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