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| Targets |
Biatractylolide exerts its effects through the PI3K-Akt-GSK3β-dependent pathways. It targets multiple signaling pathways involved in cell survival, apoptosis, and oxidative stress. The compound has been shown to suppress apoptosis-related protein expression, including cleaved caspase-3 and the Bax/Bcl-2 ratio.
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| ln Vitro |
In vitro, Biatractylolide has demonstrated significant neuroprotective activity. In PC12 cells, it significantly attenuated Aβ₁₋₄₂-induced cytotoxicity at concentrations of 20, 40, and 80 μM over 24 hours of treatment. The compound increased cell viability, reduced ROS levels, and suppressed apoptosis-related protein expression. It also inhibited glutamate-induced apoptosis and reduced LDH activity in neuronal cell models.
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| ln Vivo |
In vivo studies have shown that Biatractylolide exhibits neuroprotective effects in animal models of neurodegenerative diseases. The compound has demonstrated antitumor activity in various cancer models. However, detailed in vivo data regarding dosage, administration routes, and specific efficacy endpoints are limited in the available literature.
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| Enzyme Assay |
Biatractylolide's receptor-binding activity has been studied in cell-based systems. The compound was shown to activate the PI3K-Akt-GSK3β signaling pathway, which is involved in cell survival and neuroprotection. Detailed enzyme inhibition assays or receptor binding studies with purified proteins are not extensively reported in the available literature.
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| Cell Assay |
In vitro cell experiments with Biatractylolide typically use PC12 and SH-SY5Y neuronal cell lines. Cells are pretreated with Biatractylolide at concentrations ranging from 20 to 80 μM for 24 hours, followed by exposure to neurotoxic agents such as glutamate or Aβ₁₋₄₂. Cell viability is assessed using MTT or CCK-8 assays, ROS levels are measured using fluorescent probes, and apoptosis is evaluated by Western blotting for cleaved caspase-3 and Bax/Bcl-2 ratio.
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| Animal Protocol |
In vivo animal studies with Biatractylolide have been conducted using rodent models of neurodegenerative diseases and cancer. The compound is typically administered via oral gavage or intraperitoneal injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to Biatractylolide are limited in the available literature. As a natural product isolated from Atractylodes macrocephala, the compound is expected to have reasonable oral bioavailability. Further pharmacokinetic studies are needed to fully characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
Toxicological data for Biatractylolide are limited. The compound is a natural product from a traditional medicinal herb and is generally considered to have a favorable safety profile at therapeutic doses. However, comprehensive toxicological studies have not been extensively reported. As a research compound, it is intended for laboratory use only and not for human consumption.
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| Additional Infomation |
Reports indicate that Trattinnickia rhoifolia and Atractylodes macrocephala contain Biatractylolide, and relevant data are available for reference.
Biatractylolide is a natural bioactive compound with potential therapeutic applications in neurodegenerative diseases and cancer. The compound exerts neuroprotective effects through the PI3K-Akt-GSK3β-dependent pathways. It has demonstrated antioxidant and anti-apoptotic properties in neuronal cell models. Further research is needed to fully characterize its pharmacological profile and therapeutic potential. |
| Molecular Formula |
C30H38O4
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|---|---|
| Molecular Weight |
462.620329380035
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| Exact Mass |
462.277
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| CAS # |
182426-37-5
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| PubChem CID |
11225032
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.18±0.1 g/cm3(Predicted)
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| Boiling Point |
634.6±55.0 °C(Predicted)
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
34
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| Complexity |
1030
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| Defined Atom Stereocenter Count |
6
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| SMILES |
O1C(C(C)=C2C[C@@H]3C(=C)CCC[C@@]3(C)C[C@@]12[C@]12C(=C(C)C(=O)O1)C[C@H]1C(=C)CCC[C@]1(C)C2)=O
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| InChi Key |
RBJDJJGMGHKQMI-XETGTQJKSA-N
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| InChi Code |
InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m1/s1
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| Chemical Name |
(4aR,8aS,9aR)-9a-[(4aR,8aS,9aR)-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl]-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
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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) |
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
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| 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 | 2.1616 mL | 10.8080 mL | 21.6160 mL | |
| 5 mM | 0.4323 mL | 2.1616 mL | 4.3232 mL | |
| 10 mM | 0.2162 mL | 1.0808 mL | 2.1616 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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