Antioxidant agent-4 (Compound 2) is a potent antioxidant molecule with anti-lipid peroxidation activity.

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)

Biological Activity

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.

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. 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.