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Batatasin III

Cat No.:V69722 Purity: ≥98%
Batatasin III is a stilbene compound that can inhibit cancer migration and invasion by inhibiting epithelial-mesenchymal transition (EMT) and FAK-AKT signaling.
Batatasin III
Batatasin III Chemical Structure CAS No.: 56684-87-8
Product category: FAK
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes
Official Supplier of:
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Product Description
Batatasin III is a stilbene compound that can inhibit cancer migration and invasion by inhibiting epithelial-mesenchymal transition (EMT) and FAK-AKT signaling. Batatasin III has anti-cancer activity.
Batatasin III (CAS 56684-87-8) is a naturally occurring bibenzyl compound primarily isolated from orchids such as Dendrobium species. It has been studied for its potential in modulating cellular oxidative stress and signaling pathways relevant to cancer and neuroprotection. Batatasin III may have a long-term inhibitory effect on whole plant growth and shows germination inhibitory activity. It has a molecular weight of 244.3 g/mol.
Biological Activity I Assay Protocols (From Reference)
Targets
Batatasin III does not have a well-defined single molecular target. It is a natural product that has been studied for its potential in modulating cellular oxidative stress and signaling pathways relevant to cancer and neuroprotection. Its mechanism of action may involve modulation of cellular redox balance and signaling pathways.
ln Vitro
In H460 cells, batatasin III (25-100 μM; 48 h) has anti-proliferative action. Batatasin III is not harmful at values below 100 μM[1]. Batatasin III dramatically inhibits EMT, as seen by the up-regulation of E-cadherin and the decrease of Vimentin and N-cadherin[1].
Batatasin III has been studied for its in vitro activity in modulating cellular oxidative stress and signaling pathways. It shows germination inhibitory activity. In cell-based assays, Batatasin III may modulate oxidative stress markers and signaling pathways involved in cancer and neuroprotection.
ln Vivo
Batatasin III has been studied for its potential in modulating cellular oxidative stress and signaling pathways relevant to cancer and neuroprotection. In vivo studies are needed to fully characterize its efficacy and safety profile in animal models.
Enzyme Assay
The in vitro assays for Batatasin III involve studying its effects on cellular oxidative stress and signaling pathways. Cells are treated with the compound, and markers of oxidative stress, cell viability, and signaling pathway activation are measured.
Cell Assay
The in vitro cell-based assay for Batatasin III involves treating cancer or neuronal cell lines with the compound and measuring its effects on cell viability, oxidative stress, and signaling pathways.
Animal Protocol
In vivo animal experiments for Batatasin III are not extensively documented.
ADME/Pharmacokinetics
Batatasin III has a molecular weight of 244.3 g/mol and a molecular formula of C15H16O3. It is a naturally occurring compound.
Toxicity/Toxicokinetics
As a research compound, its safety profile is evaluated in standard cytotoxicity assays. The compound is classified for research use only and is not intended for human therapeutic use.
References

[1]. Batatasin III Inhibits Migration of Human Lung Cancer Cells by Suppressing Epithelial to Mesenchymal Transition and FAK-AKT Signals. Anticancer Res. 2017 Nov;37(11):6281-6289.

Additional Infomation
Batatasin III is a stilbene compound. Batatasin III has been reported in Coelogyne elata, Dendrobium draconis, and other organisms with available data.
Batatasin III (CAS 56684-87-8) is a naturally occurring bibenzyl compound. It has a molecular weight of 244.3 and a molecular formula of C15H16O3. It is being studied for its potential in cancer and neuroprotection research. It is not approved for clinical use and is available only for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H16O3
Molecular Weight
244.29
Exact Mass
258.126
CAS #
56684-87-8
PubChem CID
10466989
Appearance
White to off-white solid powder
Density
1.126g/cm3
Boiling Point
406.1ºC at 760 mmHg
Melting Point
93.5 - 94.5 °C
Flash Point
199.4ºC
Index of Refraction
1.572
LogP
3.194
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Heavy Atom Count
18
Complexity
244
Defined Atom Stereocenter Count
0
SMILES
COC1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O
InChi Key
VYQXIUVIYICVCM-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
Chemical Name
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 100 mg/mL (409.35 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.5 mg/mL (10.23 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (10.23 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (10.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.0935 mL 20.4675 mL 40.9350 mL
5 mM 0.8187 mL 4.0935 mL 8.1870 mL
10 mM 0.4093 mL 2.0467 mL 4.0935 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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