| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Ligustilide A targets similar pathways as ligustilide. It is a potential inhibitor of inflammatory signaling pathways, including NF-κB. It may inhibit cell adhesion molecule expression and reduce oxidative stress. The compound exhibits vasorelaxation activities and neuroprotective effects through modulation of various signaling pathways.
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|---|---|
| ln Vitro |
In vitro, ligustilide A exhibits anti-inflammatory activity by inhibiting the expression of cell adhesion molecules such as ICAM-1, VCAM-1, and E-selectin. It reduces oxidative stress by inhibiting ROS production. It has vasorelaxation activities in isolated vascular preparations. The compound shows neuroprotective effects in neuronal cell cultures.
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| ln Vivo |
In vivo, ligustilide A exhibits antinociceptive and anti-inflammatory activities. It has vasorelaxation effects and has been used in studies of pain and inflammation. The compound shows neuroprotective effects in animal models of neurological injury or disease.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for ligustilide A measure its anti-inflammatory activity by assessing CAMs expression and NF-κB activation. Vasorelaxation is assessed using isolated vascular preparations. Neuroprotective effects are evaluated in neuronal cell cultures exposed to neurotoxic insults.
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| Cell Assay |
In vitro cell-based assays for ligustilide A use HUVECs to assess inhibition of monocyte adhesion and CAMs expression. Neuronal cell cultures are used to evaluate neuroprotective effects. Cells are treated with serial dilutions of the compound, and inflammatory markers, oxidative stress, and cell viability are measured.
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| Animal Protocol |
In vivo animal models for ligustilide A include rat isolated aorta preparations for vasorelaxation studies. Pain models are used to assess antinociceptive activity. Inflammatory disease models evaluate anti-inflammatory effects. Neuroprotective effects are assessed in models of neurological injury or disease.
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| ADME/Pharmacokinetics |
Ligustilide A has a molecular formula of C₁₂H₁₄O₂ and a molecular weight of 190.24 g/mol. It is a natural product isolated from Angelica sinensis and Ligusticum chuanxiong. The compound is stored under appropriate conditions for research use. It is soluble in organic solvents such as DMSO and ethanol.
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| Toxicity/Toxicokinetics |
Ligustilide A has a favorable safety profile as a natural product. It is for research use only and is not approved for clinical use. Appropriate safety precautions should be taken during handling. The compound is generally well-tolerated at research concentrations.
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| References |
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| Additional Infomation |
(Z)-Ligustilide is a butenolactone compound that functions as a metabolite. It has been reported to be found in umbelliferous plants, Angelica sinensis, and other organisms with relevant data.
Ligustilide A is a bioactive phthalide derivative isolated from Angelica sinensis and Ligusticum chuanxiong. It exhibits neuroprotective, anti-inflammatory, and vasodilatory effects similar to ligustilide. It is a natural product used in research on pain, inflammation, and neurological conditions. |
| Molecular Formula |
C12H14O2
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|---|---|
| Molecular Weight |
190.24
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| Exact Mass |
190.099
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| CAS # |
81944-09-4
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| Related CAS # |
(Z)-Ligustilide-d7;(E)-Ligustilide;81944-08-3
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| PubChem CID |
5319022
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
377.9±11.0 °C at 760 mmHg
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| Melting Point |
168～169℃
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| Flash Point |
158.6±16.7 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.545
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| LogP |
2.63
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
345
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(=C1/OC(=O)C2C=CCCC/1=2)/CCC
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| InChi Key |
IQVQXVFMNOFTMU-FLIBITNWSA-N
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| InChi Code |
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
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| Chemical Name |
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
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| Synonyms |
cis-Ligustilide; Ligustilide A
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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)
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| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~525.65 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.14 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 (13.14 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 (13.14 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2565 mL | 26.2826 mL | 52.5652 mL | |
| 5 mM | 1.0513 mL | 5.2565 mL | 10.5130 mL | |
| 10 mM | 0.5257 mL | 2.6283 mL | 5.2565 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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