| Size | Price | Stock | Qty |
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| 50mg |
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| Targets |
Atractylenolide III targets multiple pathways involved in inflammation, immunity, and cell survival. It inhibits the release of nitric oxide (NO) and prostaglandin E2 (PGE2), key mediators of inflammation. It regulates the cellular functions of IL-6 in mast cells, suggesting immunomodulatory activity. Its anti-angiogenic effects indicate that it may target vascular endothelial growth factor (VEGF) signaling or other angiogenic pathways. The compound's neuroprotective properties suggest it may modulate oxidative stress and inflammatory responses in the nervous system. Its pro- and anti-apoptotic effects indicate that it can influence cell death pathways depending on the cellular context. These diverse targets make Atractylenolide III a valuable tool for studying inflammation, immunology, and neuroprotection.
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| ln Vitro |
Atractylenolide III (1-100 μM, 48 h) stimulates A549 cells and induces caspase-3 and caspase-9 activation and PARP localization [1]. Atractylenolide III (1-100 μM, 72 hours) decreases the swelling of HUVECs and Atractylenolide III (1-100 μM) inhibits thymobasalpoietin (TSLP)-induced pro-inflammatory cytokines (IL-6, IL- 1b, TNF-α and IL- ).
In vitro studies have demonstrated that Atractylenolide III inhibits the release of nitric oxide (NO) and prostaglandin E2 (PGE2), indicating potent anti-inflammatory activity. It regulates the cellular functions of IL-6 in mast cells, suggesting immunomodulatory effects. The compound has been shown to have neuroprotective properties, protecting neurons from various insults. Its anti-angiogenic activity has also been documented, suggesting potential for inhibiting tumor angiogenesis. The compound's ability to modulate both pro- and anti-apoptotic pathways indicates complex effects on cell survival. These diverse in vitro activities make Atractylenolide III a valuable tool for studying various disease mechanisms, though detailed potency data such as IC₅₀ values are not extensively documented. |
| ln Vivo |
Atractylenolide III (5 and 10 mg/kg, p.o.) decreases the 70% ethanol-induced gastrointestinal ulcer in rats and has gastroprotective properties[2]. Atractylenolide III (30 mg/kg, orally administered for 14 or 28 days) attenuates depressive and anxiogenic-like behaviors in rat depression models caused by chronic unpredictable mild stress (CUMS) and lipopolysaccharide (LPS) (HY-D1056)[5].
In vivo, Atractylenolide III has been shown to have neuroprotective, gastroprotective, and anti-cancer activities. Its ability to modulate immunological reactions suggests potential for treating allergic and inflammatory diseases. The compound's anti-angiogenic and anti-tumor activities indicate potential for cancer therapy. However, specific in vivo efficacy data are not detailed in the available literature. As a natural product from Atractylodes species, which have a long history of use in traditional medicine, Atractylenolide III is considered to have potential therapeutic applications. Comprehensive in vivo studies are needed to fully evaluate its therapeutic potential and to establish appropriate dosing regimens for various disease indications. |
| Enzyme Assay |
In vitro non-cell enzyme assays for Atractylenolide III typically involve measuring its inhibition of NO production using a cell-free system with a NO donor. Its inhibition of PGE2 can be measured using purified COX-2 enzyme and arachidonic acid as a substrate. The compound's antioxidant activity can be measured using DPPH, ABTS, or FRAP assays. Its binding affinity to its molecular targets, such as inflammatory mediators or signaling proteins, can be assessed using surface plasmon resonance or isothermal titration calorimetry. These assays provide quantitative data on the compound's direct interactions with its molecular targets.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: A549 Tested Concentrations: 1, 10, 100 μM Incubation Duration: 24 h, 48 h Experimental Results: Increased active forms of caspase-9, caspase-3 and caspase-3. PARP was cleaved at 48 hrs (hours). The expression of pro-apoptotic protein bax increased at 24 hrs (hours) and induced AIF translocation to the nucleus. In vitro cell-based assays for Atractylenolide III use various cell lines to study its biological activities. For anti-inflammatory studies, macrophages or mast cells stimulated with LPS or other inflammatory stimuli are used, and the production of NO, PGE2, and inflammatory cytokines (IL-6, TNF-α) is measured by ELISA. For neuroprotective studies, neuronal cell lines exposed to oxidative stress or excitotoxicity are used, and cell viability is assessed using MTT or similar assays. For anti-angiogenic studies, endothelial cell tube formation assays are used. Cell proliferation and apoptosis are assessed in cancer cell lines using MTT and Annexin V/PI staining. |
| Animal Protocol |
Animal/Disease Models: 70% ethanol induced gastric ulcer in rats [2]
Doses: 5 and 10 mg/kg Route of Administration: Oral Experimental Results:Inhibition of gastric ulcer Formation and gastric mucosal necrosis and erosion. Downregulates MMP-2/9 expression through activation of TIMP-2 and TIMP-1 expression. In vivo animal studies for Atractylenolide III would likely employ models of inflammation, neurodegeneration, and cancer. For anti-inflammatory studies, models such as carrageenan-induced paw edema or LPS-induced inflammation would be used. For neuroprotective studies, models of stroke or neurodegenerative diseases would be used. For anti-cancer studies, xenograft models using various cancer cell lines would be used. The compound would be administered orally or intraperitoneally, and parameters such as inflammatory cytokine levels, neuronal survival, and tumor growth would be assessed. Pharmacokinetic studies in these models would provide information about the compound's absorption, distribution, metabolism, and excretion. |
| ADME/Pharmacokinetics |
Atractylenolide III has a molecular weight of 248.32 g/mol and a molecular formula of C₁₅H₂₀O₃. It appears as a white to light yellow powder to crystal. The compound has a purity of ≥98.0% by HPLC. It should be stored under refrigerated conditions (0-10°C) to maintain its stability. As a sesquiterpene lactone, it is expected to have moderate lipophilicity and may have limited oral bioavailability. Detailed pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion have not been extensively characterized. The compound is soluble in organic solvents such as ethanol and DMSO.
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| Toxicity/Toxicokinetics |
The toxicity profile of Atractylenolide III has not been comprehensively evaluated in published studies. As a natural product from Atractylodes species, which have a long history of use in traditional medicine, it is generally considered to have low to moderate toxicity. However, its diverse biological activities, including pro-apoptotic effects, suggest that it may have significant biological effects that require careful evaluation. The compound is classified as a research reagent and is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
Atractylenolide III is a naphthalenefuran compound that acts as a metabolite. It has been reported to exist in Codonopsis pilosula, Atractylodes japonica, and other organisms with relevant data.
Atractylenolide III is a sesquiterpene lactone isolated from Atractylodes species with diverse biological activities, including anti-inflammatory, anti-angiogenic, pro- and anti-apoptotic, and neuroprotective properties. It is also known as Codonolactone and 8β-Hydroxyasterolide. The compound inhibits the release of nitric oxide (NO) and prostaglandin E2 (PGE2). It has potential as a house dust mite control agent and may control immunological reactions by regulating IL-6 in mast cells. Not approved for clinical use; intended for research purposes only. |
| Molecular Formula |
C15H20O3
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| Molecular Weight |
248.3175
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| Exact Mass |
248.141
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| CAS # |
73030-71-4
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| Related CAS # |
73030-71-4
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| PubChem CID |
155948
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| Appearance |
Off-white to light yellow solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
424.6±45.0 °C at 760 mmHg
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| Melting Point |
200-201ºC
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| Flash Point |
181.1±21.5 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
2.36
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
18
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| Complexity |
476
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O1C(C(C([H])([H])[H])=C2C([H])([H])[C@@]3([H])C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])([H])[C@]12O[H])=O
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| InChi Key |
FBMORZZOJSDNRQ-GLQYFDAESA-N
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| InChi Code |
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
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| Chemical Name |
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
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| Synonyms |
ICodonolactone; Atractylenolide III; 8β-Hydroxyasterolide
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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) |
DMSO: ~50 mg/mL (~201.4 mM)
Ethanol: ~50 mg/mL (~201.4 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 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 (10.07 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 (10.07 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 | 4.0271 mL | 20.1353 mL | 40.2706 mL | |
| 5 mM | 0.8054 mL | 4.0271 mL | 8.0541 mL | |
| 10 mM | 0.4027 mL | 2.0135 mL | 4.0271 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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