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Acetoacetic acid sodium salt

Cat No.:V29871 Purity: ≥98%
Acetoacetic acid sodium salt is a novel and potent metabolite of non-esterified fatty acids
Acetoacetic acid sodium salt
Acetoacetic acid sodium salt Chemical Structure CAS No.: 623-58-5
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
500mg
1g
Other Sizes

Other Forms of Acetoacetic acid sodium salt:

  • Acetoacetic acid
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Acetoacetic acid sodium salt is a novel and potent metabolite of non-esterified fatty acids
Acetoacetic acid sodium salt (CAS#: 623-58-5) is a metabolite of non-esterified fatty acids involved in the development of human diabetes. It is an oxidative stress inducer that acts via reducing the mRNA expression and activities of antioxidant enzymes (SOD, CAT, GSH-Px) and increasing malondialdehyde (MDA) levels. The compound induces oxidative stress to inhibit the assembly of very low density lipoprotein in bovine hepatocytes. Its molecular formula is C4H6O3Na with a molecular weight of 125.08 g/mol.
Biological Activity I Assay Protocols (From Reference)
Targets
Acetoacetic acid sodium salt targets oxidative stress pathways as an inducer. It reduces the mRNA expression and activities of antioxidant enzymes SOD, CAT, and GSH-Px, and increases MDA levels. The compound inhibits the assembly of very low density lipoprotein (VLDL) in bovine hepatocytes. It is a metabolite involved in diabetes development. Acetoacetic acid sodium salt can be used to study metabolic diseases.
ln Vitro
In vitro, Acetoacetic acid sodium salt induces oxidative stress to inhibit the assembly of very low density lipoprotein (VLDL) in bovine hepatocytes. It reduces mRNA expression and activities of antioxidant enzymes (SOD, CAT, GSH-Px) and increases MDA levels. The compound is a metabolite of non-esterified fatty acids. It is used in studies of oxidative stress and lipoprotein metabolism.
ln Vivo
In vivo, Acetoacetic acid sodium salt is involved in the development of human diabetes. It is a metabolite of non-esterified fatty acids. The compound induces oxidative stress and affects lipoprotein metabolism. It can be used to study metabolic diseases. Further in vivo studies are needed to fully characterize its physiological roles.
Enzyme Assay
In vitro enzyme assays for Acetoacetic acid sodium salt involve measuring antioxidant enzyme activities. SOD, CAT, and GSH-Px activities are measured using appropriate assay kits. MDA levels are measured using thiobarbituric acid reactive substances (TBARS) assay. VLDL assembly is assessed in bovine hepatocytes. The compound is added at varying concentrations, and effects on enzyme activities and oxidative stress markers are assessed. Assays are performed in appropriate buffer systems with positive controls.
Cell Assay
In vitro cell-based assays for Acetoacetic acid sodium salt are conducted in bovine hepatocytes and other cell types. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Antioxidant enzyme activities are measured in cell lysates. Oxidative stress markers such as ROS and MDA are measured. VLDL assembly is assessed. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
Animal Protocol
Acetoacetic acid sodium salt in vivo studies are conducted in animal models of diabetes and metabolic diseases. Animals are treated with the compound via oral administration or injection. Blood glucose and lipid levels are measured. Oxidative stress markers and antioxidant enzyme activities are assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis at study endpoints.
ADME/Pharmacokinetics
Acetoacetic acid sodium salt (MW 125.08 g/mol, C4H6O3Na) is a metabolite of non-esterified fatty acids. It is an oxidative stress inducer. The compound is soluble in water and other appropriate solvents. It is stable under recommended storage conditions. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. Acetoacetic acid sodium salt is used in metabolic and oxidative stress research.
Toxicity/Toxicokinetics
Acetoacetic acid sodium salt is generally well-tolerated in preclinical studies. The compound is a metabolite of non-esterified fatty acids. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
References

[1]. Acetoacetic acid induces oxidative stress to inhibit the assembly of very low density lipoprotein in bovine hepatocytes. J Dairy Res. 2016 Nov;83(4):442-446.

Additional Infomation
Acetoacetic acid sodium salt is a metabolite of non-esterified fatty acids involved in diabetes development. It is an oxidative stress inducer that reduces SOD, CAT, and GSH-Px activities and increases MDA levels. The compound inhibits VLDL assembly in bovine hepatocytes. Its molecular formula is C4H6O3Na with a molecular weight of 125.08 g/mol. All applications are limited to non-human research use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C4H5O3-.NA+
Molecular Weight
124.0705
Exact Mass
124.014
CAS #
623-58-5
Related CAS #
541-50-4 (Parent)
PubChem CID
23678750
Appearance
White to off-white solid powder
Boiling Point
237.7ºC at 760 mmHg
Flash Point
111.8ºC
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Heavy Atom Count
8
Complexity
99.5
Defined Atom Stereocenter Count
0
InChi Key
UAKCMIIOSJFOTD-UHFFFAOYSA-M
InChi Code
InChI=1S/C4H6O3.Na/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
Chemical Name
sodium;3-oxobutanoate
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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 8.0600 mL 40.2998 mL 80.5997 mL
5 mM 1.6120 mL 8.0600 mL 16.1199 mL
10 mM 0.8060 mL 4.0300 mL 8.0600 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

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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  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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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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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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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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