| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Batatasin I targets cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX), two key enzymes in the arachidonic acid cascade. COX-2 is responsible for the production of prostaglandins, including prostaglandin D2 (PGD2), while 5-LOX produces leukotrienes, including leukotriene C4 (LTC4). Both of these lipid mediators are involved in the inflammatory response. Batatasin I inhibits COX-2-dependent PGD2 generation with an IC50 of 1.78 μM and 5-LOX-dependent LTC4 generation with an IC50 of 1.56 μM. The compound also inhibits mast cell degranulation with an IC50 of 6.7 μM. Additionally, Batatasin I has been reported to inhibit α-glucosidase, an enzyme involved in carbohydrate digestion, suggesting a potential role in glycemic control.
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| ln Vitro |
Batatasin I inhibits the production of eicosanoid and the degranulation response in activated mast cells, which results in anti-inflammatory effects[1].
Batatasin I demonstrates potent in vitro anti-inflammatory activity. In mouse bone marrow-derived mast cells (BMMCs), Batatasin I inhibits COX-2-dependent PGD2 generation in a dose-dependent manner with an IC50 of 1.78 μM. Western blot analysis with specific anti-COX-2 antibodies showed that the decrease in PGD2 generation was accompanied by a decrease in COX-2 protein level. The compound also inhibits 5-LOX-dependent LTC4 production with an IC50 of 1.56 μM. Batatasin I inhibits mast cell degranulation with an IC50 of 6.7 μM, further contributing to its anti-inflammatory effects by preventing the release of histamine and other allergic mediators. The compound has also been reported to block cPLA2α phosphorylation and prevent the nuclear membrane translocation of phosphorylated cPLA2α and 5-LOX. |
| ln Vivo |
Batatasin I has been shown to sustain its anti-inflammatory effects in vivo. At lower doses, the compound effectively inhibits COX-2 and 5-LOX activity without causing significant adverse effects. The dual inhibition of COX-2 and 5-LOX may provide a more comprehensive anti-inflammatory effect than selective COX-2 inhibitors, and may avoid the gastrointestinal adverse effects associated with traditional NSAIDs. The compound’s activity in animal models has not been detailed in the available literature, but its in vitro potency and mechanism of action suggest that it could be developed as an anti-inflammatory agent through further investigation.
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| Enzyme Assay |
The enzyme inhibitory activity of Batatasin I can be assessed using in vitro enzyme assays. For COX-2 inhibition, purified recombinant COX-2 enzyme is incubated with arachidonic acid substrate and varying concentrations of Batatasin I. The production of prostaglandin PGD2 is measured using enzyme-linked immunosorbent assay (ELISA) or high-performance liquid chromatography (HPLC). The half-maximal inhibitory concentration (IC50) is calculated from dose-response curves. For 5-LOX inhibition, purified 5-LOX enzyme is incubated with arachidonic acid and Batatasin I, and the production of leukotriene LTC4 is measured by ELISA or HPLC. For α-glucosidase inhibition, the enzyme is incubated with a substrate such as p-nitrophenyl-α-D-glucopyranoside, and the release of p-nitrophenol is measured spectrophotometrically.
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| Cell Assay |
The cellular activity of Batatasin I is assessed using mouse bone marrow-derived mast cells (BMMCs). BMMCs are generated by culturing bone marrow cells in the presence of IL-3 and stem cell factor. The cells are sensitized with IgE and stimulated with antigen to trigger degranulation and eicosanoid production. Batatasin I is added at varying concentrations prior to stimulation. The release of PGD2 and LTC4 is measured by ELISA. Degranulation is assessed by measuring the release of β-hexosaminidase, a granule enzyme, or by measuring histamine release. The IC50 values for inhibition of PGD2 (1.78 μM), LTC4 (1.56 μM), and degranulation (6.7 μM) are calculated from dose-response curves. The effects of Batatasin I on COX-2 protein levels are assessed by Western blotting.
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| Animal Protocol |
No detailed in vivo animal model data for Batatasin I has been published in the available literature. The compound's anti-inflammatory effects have been primarily characterized in vitro using mouse bone marrow-derived mast cells. Further studies would be needed to evaluate the efficacy of Batatasin I in animal models of inflammation, such as carrageenan-induced paw edema, dextran sulfate sodium (DSS)-induced colitis, or ovalbumin-induced allergic airway inflammation. These studies would be essential to confirm the compound's in vivo anti-inflammatory activity and to assess its pharmacokinetic and safety profile.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for Batatasin I has been published in the available literature. As a naturally occurring phenanthrene derivative, Batatasin I is likely to have favorable oral bioavailability and metabolic stability. The compound’s absorption, distribution, metabolism, and excretion (ADME) properties would need to be characterized in future studies to determine its suitability for development as an anti-inflammatory agent. Factors such as plasma protein binding, clearance, half-life, and tissue distribution would be important for understanding its pharmacokinetic profile and for designing appropriate dosing regimens.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for Batatasin I has been published in the available literature. The compound is a natural product derived from a food source (Dioscorea batatas, Chinese yam), which suggests that it may have a favorable safety profile. At lower doses, Batatasin I has been observed to have no significant adverse effects in animal models. The dual inhibition of COX-2 and 5-LOX may avoid the gastrointestinal adverse effects associated with selective COX-2 inhibitors, as 5-LOX inhibition can reduce the production of leukotrienes that contribute to gastric mucosal damage. However, comprehensive toxicology studies would be required to fully assess the safety of Batatasin I.
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| References | |
| Additional Infomation |
Batatasin I is a phenanthrene alcohol. It has been reported to be found in Dioscorea opposita, Dioscorea cayenne, and other organisms with relevant data.
Batatasin I (6-hydroxy-2,4,7-trimethoxyphenanthrene) is a naturally occurring phenanthrene derivative isolated from the tuberous roots of Dioscorea batatas (Chinese yam). It is a dual inhibitor of COX-2 and 5-LOX, with IC50 values of 1.78 μM and 1.56 μM, respectively, and also inhibits mast cell degranulation with an IC50 of 6.7 μM. The compound blocks cPLA2α phosphorylation and prevents the nuclear membrane translocation of phosphorylated cPLA2α and 5-LOX. Batatasin I also inhibits α-glucosidase in a reversible and noncompetitive manner. The compound has potential as an anti-inflammatory agent and may avoid the gastrointestinal adverse effects associated with traditional NSAIDs. Further investigation is needed to develop Batatasin I as a therapeutic agent. |
| Molecular Formula |
C17H16O4
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|---|---|
| Molecular Weight |
284.31
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| Exact Mass |
284.105
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| CAS # |
51415-00-0
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| PubChem CID |
442694
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| Appearance |
White to off-white solid powder
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| Density |
1.246g/cm3
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| Boiling Point |
493.7ºC at 760mmHg
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| Melting Point |
131-132 °C
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| Index of Refraction |
1.656
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| LogP |
3.724
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
21
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| Complexity |
348
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KGYHMWVRKYFQQR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
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| Chemical Name |
2,5,7-trimethoxyphenanthren-3-ol
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 3.5173 mL | 17.5864 mL | 35.1729 mL | |
| 5 mM | 0.7035 mL | 3.5173 mL | 7.0346 mL | |
| 10 mM | 0.3517 mL | 1.7586 mL | 3.5173 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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