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OBA-09

Alias: OBA09 OBA 09 OBA-09
Cat No.:V26811 Purity: ≥98%
OBA-09 (OBA09) is a novel and potent neuroprotective agent.
OBA-09
OBA-09 Chemical Structure CAS No.: 856095-68-6
Product category: Reactive Oxygen Species
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
OBA-09 (OBA09) is a novel and potent neuroprotective agent. OBA-09 has a potent therapeutic potential as a multimodal neuroprotectant in the postischemic brain and these effects were conferred by OBA-09 itself and subsequently its hydrolyzed products.
OBA-09 (CAS#: 856095-68-6) is a novel multimodal neuroprotective agent. It is a simple ester of pyruvate and salicylic acid, which are the main metabolites of pyruvate and aspirin, respectively. OBA-09 exerts robust neuroprotective effects in the postischemic brain. It prevents lipid peroxidation, reduces reactive oxygen species (ROS) production, and causes recovery of NAD and ATP concentrations to near basal levels.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary targets of OBA-09 include reactive oxygen species (ROS) and oxidative stress pathways. It acts as a multi-functional agent to protect against ischemic damage to the brain. It combines the anti-inflammatory properties of salicylic acid with the metabolic support and antioxidant capacity of pyruvate. It exhibits antioxidative, anti-excitotoxic, and anti-Zn(2+)-toxic functions.
ln Vitro
In vitro, OBA-09 exhibits antioxidative effects. It prevents lipid peroxidation and ROS production. It causes recovery of NAD and ATP concentrations to near basal levels in cells. Its ability to reduce oxidative stress and support cellular metabolism contributes to its neuroprotective effects.
ln Vivo
In vivo, OBA-09 exerts robust neuroprotective effects in the postischemic brain. It leads to a reduction of infarct volume and accelerates the recovery of behavioral and neurological deficits following ischemic injury. Administration of OBA-09 results in remarkable reduction of lipid peroxidation and 4-hydroxy-2-nonenal staining in the brain.
Enzyme Assay
In vitro enzyme/receptor binding assays for OBA-09 are not extensively described, as its mechanism involves multiple pathways rather than binding to a specific enzyme or receptor. Its antioxidant activity is typically assessed by measuring its ability to scavenge free radicals or inhibit lipid peroxidation in cell-free systems. Its effects on NAD and ATP levels can be measured in cellular extracts.
Cell Assay
In vitro cellular assays for OBA-09 are conducted in neuronal cell lines or primary neurons. Cells are treated with the compound, and oxidative stress markers (e.g., ROS, lipid peroxidation) are measured using fluorescent or colorimetric assays. Cellular viability and ATP levels are assessed using standard assays. Its neuroprotective effects against excitotoxic or oxidative insults are evaluated by measuring cell survival.
Animal Protocol
In vivo animal studies for OBA-09 are conducted in rodent models of ischemic brain injury, such as middle cerebral artery occlusion (MCAO). Animals are administered the compound, and infarct volume is measured by histological analysis. Behavioral and neurological deficits are assessed using standardized tests. Oxidative stress markers in the brain are measured by immunohistochemistry or biochemical assays.
ADME/Pharmacokinetics
Pharmacokinetic properties of OBA-09 indicate it has a molecular weight of 208.17 and a molecular formula of C10H8O5. It is a simple ester of pyruvate and salicylic acid. Its bioavailability and other PK parameters would be determined in preclinical studies. The compound is typically stored as a powder at appropriate conditions.
Toxicity/Toxicokinetics
Toxicological information for OBA-09 is limited to preclinical studies. As a neuroprotective agent, it is designed to be safe and well-tolerated. Comprehensive toxicology studies would be required for clinical development, including assessments of its effects on blood pressure, coagulation, and renal function, given its salicylic acid component.
References
:Robust protective effects of a novel multimodal neuroprotectant oxopropanoyloxy benzoic acid (a salicylic acid/pyruvate ester) in the postischemic brain. Mol Pharmacol. 2011 Feb;79(2):220-8.
Additional Infomation
OBA-09 is a novel multimodal neuroprotective agent with potential for treating ischemic brain injury. It is a hybrid of salicylic acid and pyruvate, combining anti-inflammatory and antioxidant properties. It reduces infarct volume and accelerates recovery in animal models of stroke. It is available from research chemical suppliers for preclinical studies. It is not approved for clinical use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H8O5
Molecular Weight
208.16
Exact Mass
208.037
CAS #
856095-68-6
PubChem CID
44186792
Appearance
White to off-white solid powder
LogP
0.879
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Heavy Atom Count
15
Complexity
284
Defined Atom Stereocenter Count
0
SMILES
O=C(C1C(OC(C(C)=O)=O)=CC=CC=1)O
InChi Key
ULWCDKMLERRCJA-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H8O5/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,12,13)
Chemical Name
2-(2-oxopropanoyloxy)benzoic acid
Synonyms
OBA09 OBA 09 OBA-09
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

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 (~480.38 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.01 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 (12.01 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 (12.01 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 4.8040 mL 24.0200 mL 48.0400 mL
5 mM 0.9608 mL 4.8040 mL 9.6080 mL
10 mM 0.4804 mL 2.4020 mL 4.8040 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.

Calculator

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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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