| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
Acetoacetic acid lithium is an oxidative stress inducer that affects the antioxidant enzyme system and lipoprotein metabolism. The compound induces oxidative stress by decreasing mRNA expression and activity of superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GSH-Px), while increasing MDA content. It downregulates apolipoproteins ApoB100, ApoE, and LDLR, inhibiting VLDL assembly. As an endogenous metabolite, acetoacetic acid is a weak organic acid produced in the human liver under conditions of poor metabolism leading to excessive fatty acid breakdown, such as diabetic ketoacidosis. The lithium salt form is used in research as an oxidative stress inducer. The compound's effects on antioxidant enzymes and lipoprotein metabolism make it a useful tool for studying oxidative stress, lipid metabolism, and metabolic disorders. Its role as a ketone body precursor also makes it relevant for studies of energy metabolism and ketosis. |
|---|---|
| ln Vitro |
In vitro, acetoacetic acid lithium induces oxidative stress by decreasing mRNA expression and activity of SOD, CAT, and GSH-Px, while increasing MDA content. It downregulates apolipoproteins ApoB100, ApoE, and LDLR, inhibiting VLDL assembly. In cell-based assays, acetoacetic acid lithium is used to induce oxidative stress in various cell types, including hepatocytes, adipocytes, and endothelial cells. Cells are cultured in appropriate medium and treated with acetoacetic acid lithium at various concentrations (typically 0.1-10 mM) for 24-72 hours. Following treatment, markers of oxidative stress (e.g., ROS, MDA), antioxidant enzyme activity (SOD, CAT, GSH-Px), and lipoprotein metabolism (ApoB100, ApoE, LDLR) are measured. The compound's effects on cell viability and apoptosis are also assessed. The compound's ability to induce oxidative stress makes it a useful tool for studying the mechanisms of oxidative damage and the effects of antioxidants.
|
| ln Vivo |
In vivo, acetoacetic acid lithium serves as a source of ketone bodies in metabolic pathways. As a ketone body precursor, it is used in studies of energy metabolism and ketosis. The compound is an endogenous metabolite produced in the liver under conditions of poor metabolism leading to excessive fatty acid breakdown. In animal models, acetoacetic acid lithium is administered to induce oxidative stress or to study the effects of ketone bodies on metabolism. The compound's effects on antioxidant enzymes and lipoprotein metabolism have been studied in vivo. However, comprehensive in vivo pharmacokinetic and toxicology studies have not been extensively reported. Further in vivo studies are needed to fully characterize the compound's physiological role and therapeutic potential. The compound is classified as a research chemical and is not approved for human use.
|
| Enzyme Assay |
In vitro enzyme assays for acetoacetic acid lithium typically involve the measurement of antioxidant enzyme activities. Cells or tissues are treated with acetoacetic acid lithium, and the activities of SOD, CAT, and GSH-Px are measured using colorimetric or fluorometric assays. For SOD activity, the inhibition of superoxide-induced reduction of nitroblue tetrazolium or cytochrome c is measured. For CAT activity, the decomposition of H₂O₂ is measured by following the decrease in absorbance at 240 nm. For GSH-Px activity, the oxidation of glutathione is measured in the presence of H₂O₂ or cumene hydroperoxide. Lipid peroxidation is assessed by measuring the formation of MDA using the thiobarbituric acid reactive substances (TBARS) assay. For lipoprotein metabolism studies, the expression of ApoB100, ApoE, and LDLR is measured by western blotting or qPCR. Typical assay conditions include incubation at 25-37°C in appropriate buffer systems, with reaction products measured by spectrophotometry or fluorometry.
|
| Cell Assay |
In vitro cell-based assays for acetoacetic acid lithium are performed using hepatocyte, adipocyte, or endothelial cell cultures. Cells are cultured in appropriate medium and treated with acetoacetic acid lithium at various concentrations (typically 0.1-10 mM) for 24-72 hours. Following treatment, cells are harvested, and markers of oxidative stress (ROS, MDA), antioxidant enzyme activity (SOD, CAT, GSH-Px), and lipoprotein metabolism (ApoB100, ApoE, LDLR) are measured. Cell viability is assessed using MTT or LDH assays. Apoptosis is measured by flow cytometry using Annexin V/PI staining or by measuring caspase activity. Each experiment includes appropriate controls (untreated cells, vehicle controls) and is performed in triplicate to ensure statistical reliability. The compound is typically dissolved in water or buffer for use in these assays, due to its high solubility.
|
| Animal Protocol |
In vivo animal experiments with acetoacetic acid lithium are conducted in mouse or rat models of metabolic disorders or oxidative stress. Typically, 8-12 week old rodents are used, and the compound is administered via intraperitoneal injection or oral gavage at doses ranging from 10-100 mg/kg. Following administration, blood and tissue samples are collected to measure markers of oxidative stress (MDA, antioxidant enzyme activities), lipid metabolism (ApoB100, ApoE, LDLR), and ketone body levels. In models of metabolic disorders, the compound is used to study the effects of ketosis on metabolism. All animal procedures are conducted in accordance with institutional animal care and use committee guidelines, with appropriate sample sizes (typically n=6-10 per group) to ensure statistical power. The compound is formulated for administration using appropriate vehicles such as saline or water, in which it is soluble. Endpoints include oxidative stress markers, lipid metabolism markers, and histopathological examination.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of acetoacetic acid lithium are characteristic of a small, highly polar molecule. With a molecular weight of 108.02 g/mol and a carboxylic acid group, the compound is highly water-soluble and is expected to be rapidly absorbed following oral administration. As a ketone body precursor, the compound is rapidly metabolized to acetoacetate and other ketone bodies. The elimination half-life is likely to be short (hours) due to rapid metabolism and clearance. The compound is primarily metabolized through hepatic pathways and excreted in urine. The pharmacokinetics of acetoacetic acid lithium may be influenced by its formulation, with various vehicles affecting absorption rates and bioavailability. As with all research chemicals, appropriate pharmacokinetic studies should be conducted to fully characterize the compound's absorption, distribution, metabolism, and excretion.
|
| Toxicity/Toxicokinetics |
The toxicological profile of acetoacetic acid lithium is related to its properties as an oxidative stress inducer and a ketone body precursor. As an inducer of oxidative stress, high concentrations of the compound may be cytotoxic. In cell-based assays, acetoacetic acid lithium has been shown to decrease antioxidant enzyme activity and increase oxidative stress markers, which can lead to cell damage and apoptosis. In vivo, high levels of ketone bodies can lead to metabolic acidosis. However, comprehensive toxicology studies including acute, subchronic, and chronic toxicity assessments, as well as genotoxicity and reproductive toxicity evaluations, have not been reported. The compound is classified as a research chemical and is not approved for human use. Standard safety precautions should be observed when handling the compound, including the use of appropriate personal protective equipment.
|
| Additional Infomation |
Acetoacetic acid lithium is a valuable research tool for studying oxidative stress, lipid metabolism, and metabolic disorders. It is an oxidative stress inducer that affects the antioxidant enzyme system and lipoprotein metabolism. The compound induces oxidative stress by decreasing mRNA expression and activity of SOD, CAT, and GSH-Px, while increasing MDA content. It downregulates apolipoproteins ApoB100, ApoE, and LDLR, inhibiting VLDL assembly. The compound has the molecular formula C₄H₅LiO₃ and a molecular weight of 108.02 g/mol. It is a weak organic acid produced in the human liver under conditions of poor metabolism leading to excessive fatty acid breakdown. It is not approved for any clinical indication and is strictly for research use only. Its role as an oxidative stress inducer makes it a useful tool for studying the mechanisms of oxidative damage and the effects of antioxidants.
|
| Molecular Formula |
C4H5LIO3
|
|---|---|
| Molecular Weight |
108.02
|
| Exact Mass |
108.039
|
| CAS # |
3483-11-2
|
| Related CAS # |
Acetoacetic acid sodium;623-58-5;Acetoacetic acid;541-50-4
|
| PubChem CID |
2724246
|
| Appearance |
White to off-white solid powder
|
| Density |
1.182g/cm3
|
| Boiling Point |
237.7ºC at 760mmHg
|
| 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
|
| SMILES |
[Li+].CC(=O)CC(=O)[O-]
|
| InChi Key |
UTLRZTUJSMCBHB-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
|
| Chemical Name |
lithium;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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 1.54 mg/mL (14.26 mM)
|
|---|---|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.2575 mL | 46.2877 mL | 92.5754 mL | |
| 5 mM | 1.8515 mL | 9.2575 mL | 18.5151 mL | |
| 10 mM | 0.9258 mL | 4.6288 mL | 9.2575 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.
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
