| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
(Z)-Aconitic acid targets glutamate decarboxylase (GAD), an enzyme responsible for the decarboxylation of glutamate to GABA, and inhibits its activity. It also targets the NF-κB signaling pathway by reducing IκB-α phosphorylation, which prevents the release of NF-κB for nuclear translocation. As an endogenous metabolite, it is involved in the tricarboxylic acid cycle. The compound shows low affinity binding to ATP-Citrate Lyase. Its anti-inflammatory effects are mediated through modulation of these pathways.
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| ln Vitro |
In vitro, (Z)-Aconitic acid acts as a glutamate decarboxylase inhibitor. It reduces IκB-α phosphorylation, indicating modulation of the NF-κB signaling pathway. The compound exhibits low binding affinity to rat ATP-Citrate Lyase with a Ki value greater than 1,000,000 nM. It is used as a biochemical tool to study metabolic and inflammatory pathways. Its anti-inflammatory activity has been characterized in cell-free and cell-based systems.
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| ln Vivo |
In vivo, (Z)-Aconitic acid is orally active and has demonstrated efficacy in inhibiting antigen-induced arthritis and monosodium urate-induced gout in animal models. These effects are attributed to its inhibition of glutamate decarboxylase and modulation of NF-κB signaling. The compound is administered orally in preclinical studies. Its in vivo anti-inflammatory activity supports its potential as a research tool for studying inflammatory diseases.
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| Enzyme Assay |
In vitro enzyme assays for (Z)-Aconitic acid typically measure its inhibition of glutamate decarboxylase (GAD) activity. GAD activity is assessed by monitoring the conversion of glutamate to GABA using spectrophotometric or radiometric methods. The compound is added at varying concentrations, and IC50 values are calculated from dose-response curves. NF-κB pathway modulation is assessed by measuring IκB-α phosphorylation levels via Western blot or ELISA in cell lysates. Binding to ATP-Citrate Lyase can be evaluated using surface plasmon resonance or isothermal titration calorimetry. Assays are performed in appropriate buffer systems with positive controls such as known GAD inhibitors.
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| Cell Assay |
In vitro cell-based assays for (Z)-Aconitic acid are conducted in various cell lines to evaluate its anti-inflammatory and metabolic effects. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. NF-κB activation is assessed by measuring IκB-α phosphorylation and nuclear translocation via Western blot or immunofluorescence. Inflammatory cytokine production (e.g., TNF-α, IL-6) is measured by ELISA. Glutamate decarboxylase inhibition is assessed by measuring GABA levels in cell lysates or culture media. Cell viability is assessed by MTT or CCK-8 assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
In vivo animal studies for (Z)-Aconitic acid are conducted in rodent models of inflammation. For antigen-induced arthritis models, animals are immunized and challenged with antigen, and joint inflammation is assessed. For monosodium urate-induced gout models, animals are injected with monosodium urate crystals to induce gouty inflammation. (Z)-Aconitic acid is administered orally at various doses. Anti-inflammatory efficacy is assessed by measuring paw swelling, joint diameter, and inflammatory cytokine levels in serum or tissue. Histopathological analysis of joint tissues is performed. Animals are monitored for clinical signs. Dosing regimens are optimized based on pharmacokinetic data. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
(Z)-Aconitic acid (MW 174.11 g/mol, C6H6O6) is a small molecule endogenous metabolite. It is soluble in water (100 mg/mL, 574.35 mM) and DMSO (≥100 mg/mL, 574.35 mM). The compound is orally active. It is stable as a powder at -20°C for up to 3 years and in solvent at -80°C for 6 months. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. The compound is a cis-isomer of aconitic acid and an intermediate in the tricarboxylic acid cycle.
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| Toxicity/Toxicokinetics |
(Z)-Aconitic acid is generally well-tolerated in preclinical studies at therapeutic doses. The compound is an endogenous metabolite with a favorable safety profile. It is a glutamate decarboxylase inhibitor and modulates NF-κB signaling. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| Additional Infomation |
Cis-aconitic acid is the cis isomer of aconitic acid and an important metabolite. It is the conjugate acid of cis-aconitic acid (3-). Cis-aconitic acid is a metabolite found or produced in Escherichia coli (K12 strain, MG1655 strain). It has also been reported to be present in soybeans, corn, and other organisms with relevant data. Cis-aconitic acid is a metabolite found or produced in Saccharomyces cerevisiae. It is a tricarboxylic acid with the molecular formula (COOH)-CH2-C(COOH)=CH-COOH.
(Z)-Aconitic acid is the cis-isomer of aconitic acid and an intermediate in the tricarboxylic acid cycle. It is an orally active glutamate decarboxylase inhibitor that reduces IκB-α phosphorylation. The compound inhibits antigen-induced arthritis and monosodium urate-induced gout, demonstrating anti-inflammatory activity. It shows low binding affinity to ATP-Citrate Lyase. (Z)-Aconitic acid is used as a research tool for studying metabolic and inflammatory pathways. All applications are limited to non-human research use. |
| Molecular Formula |
C6H6O6
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|---|---|
| Molecular Weight |
174.10824
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| Exact Mass |
174.016
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| CAS # |
585-84-2
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| PubChem CID |
643757
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| Appearance |
LEAFLETS & PLATES FROM WATER
WHITE CRYSTALLINE POWDER WHITE OR YELLOWISH CRYSTALLINE SOLID |
| Density |
1.7±0.1 g/cm3
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| Boiling Point |
542.6±50.0 °C at 760 mmHg
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| Melting Point |
122ºC(lit.)
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| Flash Point |
296.0±26.6 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.571
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| LogP |
0.63
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
12
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| Complexity |
251
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(=C(\CC(=O)O)/C(=O)O)/C(=O)O
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| InChi Key |
GTZCVFVGUGFEME-IWQZZHSRSA-N
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| InChi Code |
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
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| Chemical Name |
(Z)-prop-1-ene-1,2,3-tricarboxylic acid
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
H2O : ~100 mg/mL (~574.35 mM)
DMSO : ≥ 100 mg/mL (~574.35 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.36 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 (14.36 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (574.35 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7435 mL | 28.7175 mL | 57.4350 mL | |
| 5 mM | 1.1487 mL | 5.7435 mL | 11.4870 mL | |
| 10 mM | 0.5743 mL | 2.8717 mL | 5.7435 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.
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