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Demethylwedelolactone Sulfate

Demethylwedelolactone Sulfate (Demethylwedelolactone 3-sulfate) is a coumarin compound extracted from Eclipta prostrata L.
Demethylwedelolactone Sulfate
Demethylwedelolactone Sulfate Chemical Structure CAS No.: 1318240-80-0
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
Other Sizes

Other Forms of Demethylwedelolactone Sulfate:

  • Demethylwedelolactone
Official Supplier of:
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Product Description
Demethylwedelolactone Sulfate (Demethylwedelolactone 3-sulfate) is a coumarin compound extracted from Eclipta prostrata L.
Demethylwedelolactone Sulfate (Demethylwedelolactone 3-sulfate) is a sulfated coumestan compound isolated from the aerial parts of Eclipta prostrata L. Its molecular formula is C15H8O10S with a molecular weight of 380.28. The compound is characterized by a sulfate group at the C-3 position and is chemically distinct from its parent aglycones, wedelolactone and demethylwedelolactone. It is recognized for its chemotaxonomic value and serves as a chemical marker to differentiate Eclipta prostrata from closely related species.
Biological Activity I Assay Protocols (From Reference)
Targets
The specific biological target of Demethylwedelolactone Sulfate has not been extensively characterized. As a sulfated coumestan, it may modulate enzyme activities associated with inflammation and oxidative stress. Sulfation typically reduces the biological activity of the parent aglycone, and the sulfate moiety may facilitate cellular uptake or alter pharmacokinetic properties. The compound may serve as a storage or transport form of the active aglycone.
ln Vitro
In vitro activity data for Demethylwedelolactone Sulfate are limited. The parent aglycone demethylwedelolactone exhibits anti-inflammatory and hepatoprotective activities, but the sulfated metabolite generally shows reduced potency in these assays. The compound is primarily used as an analytical standard for phytochemical profiling and quality control of Eclipta prostrata extracts, rather than for its own biological activity.
ln Vivo
In vivo activity data for Demethylwedelolactone Sulfate are not available in the published literature. The compound has not been evaluated in animal models for efficacy in any disease indication. It remains a phytochemical reference standard for analytical and taxonomic purposes and has not been prioritized for pharmacological development.
Enzyme Assay
For non-cellular analytical assays, Demethylwedelolactone Sulfate is characterized by HPLC with UV detection or LC-MS/MS. It is separated on a C18 column using a gradient of water and acetonitrile containing formic acid. The compound's retention time and mass spectral fragmentation pattern are used for identification and quantification in plant extracts and biological samples.
Cell Assay
For cell-based assays, Demethylwedelolactone Sulfate would be tested for cytotoxicity and potential anti-inflammatory activity. Cells (e.g., hepatocytes, macrophages) are treated with serial dilutions of the compound for 24-72 hours. Cell viability is assessed by MTT assay. Anti-inflammatory activity is evaluated by measuring LPS-induced NO production and pro-inflammatory cytokine levels (TNF-α, IL-6) by ELISA.
Animal Protocol
For in vivo experiments, no established protocols exist for Demethylwedelolactone Sulfate. If pursued, the compound would be formulated in a suitable vehicle and administered to rodents via oral gavage or intraperitoneal injection. Endpoints would depend on the hypothesized activity (e.g., anti-inflammatory, hepatoprotective), but given the lack of target identification, in vivo studies are not currently warranted.
References

[1]. Sulphur compounds from the aerial parts of Eclipta prostrata. Biochemical Systematics and Ecology. (2010);38(6):1253–1256.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H8O10S
Molecular Weight
380.2830
Exact Mass
379.983
CAS #
1318240-80-0
Related CAS #
Demethylwedelolactone;6468-55-9
PubChem CID
86764070
Appearance
Typically exists as solid at room temperature
Source
Originated from plants: other families
LogP
1.5
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
2
Heavy Atom Count
26
Complexity
674
Defined Atom Stereocenter Count
0
SMILES
C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)OS(=O)(=O)O
InChi Key
PHQCOGFAQDXAHJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H8O10S/c16-7-3-6-10(4-8(7)17)23-14-12(6)15(19)24-11-2-5(25-26(20,21)22)1-9(18)13(11)14/h1-4,16-18H,(H,20,21,22)
Chemical Name
(1,8,9-trihydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) hydrogen sulfate
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

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)
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)
*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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300:Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.6296 mL 13.1482 mL 26.2964 mL
5 mM 0.5259 mL 2.6296 mL 5.2593 mL
10 mM 0.2630 mL 1.3148 mL 2.6296 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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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