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Bancroftinone (parent eugenol)

Cat No.:V58875 Purity: ≥98%
Bancroftinone is a naturally occurring compound belonging to the alkylphenones class.
Bancroftinone (parent eugenol)
Bancroftinone (parent eugenol) Chemical Structure CAS No.: 14964-98-8
Product category: Phenols
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
Other Sizes
Official Supplier of:
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Product Description
Bancroftinone is a naturally occurring compound belonging to the alkylphenones class.
Bancroftinone is a natural product that is structurally related to eugenol, a well-known phenolic compound found in clove oil and other essential oils. It is also known as "parent eugenol." Bancroftinone has been studied for its potential antioxidant, anti-inflammatory, and antimicrobial activities. It is a research compound used in studies of natural product chemistry and pharmacology.
Biological Activity I Assay Protocols (From Reference)
Targets
The molecular targets of Bancroftinone are not fully characterized. As a phenolic compound related to eugenol, it may exhibit antioxidant activity through free radical scavenging. Its anti-inflammatory activity is likely mediated through inhibition of pro-inflammatory mediators such as NO, TNF-α, and IL-6. Its antimicrobial activity suggests interactions with bacterial cell membranes or essential enzymes. Further research is needed to identify specific molecular targets.
ln Vitro
In vitro studies of Bancroftinone have demonstrated antioxidant, anti-inflammatory, and antimicrobial activities. However, specific potency data such as IC₅₀ values are not detailed in the available literature. The compound is primarily a research tool for studying the pharmacology of phenolic natural products related to eugenol. Its in vitro applications include studies of oxidative stress, inflammation, and infectious diseases.
ln Vivo
Specific in vivo activity data for Bancroftinone are not available in the consulted sources. As a natural compound related to eugenol, it may have potential in vivo efficacy in models of inflammation, oxidative stress, and infection. However, systematic in vivo studies have not been reported. Further research is needed to evaluate its pharmacokinetics and efficacy.
Enzyme Assay
Typical in vitro assays for Bancroftinone include DPPH and ABTS radical scavenging assays for antioxidant activity. Anti-inflammatory activity is assessed by measuring NO production in LPS-stimulated macrophages using the Griess assay. Antimicrobial activity is assessed by broth microdilution methods to determine MIC values against bacterial and fungal strains. These protocols are standard for evaluating the biological activities of phenolic compounds.
Cell Assay
Cellular assays for Bancroftinone typically involve treating macrophages (e.g., RAW 264.7) with the compound at concentrations ranging from 1-100 µM for 24-48 hours. Inflammatory markers such as NO, TNF-α, and IL-6 are measured by ELISA or Griess assay. ROS levels are measured using fluorescent probes. Cell viability is assessed by MTT assay. These cell-based systems allow for analysis of the compound's mechanism of action.
Animal Protocol
In vivo animal experiments for Bancroftinone are not detailed in the available literature. For anti-inflammatory studies, typical animal models include carrageenan-induced paw edema or LPS-induced systemic inflammation. For antioxidant studies, models of oxidative stress are used. However, such studies have not been reported for this specific compound.
ADME/Pharmacokinetics
Pharmacokinetic data for Bancroftinone are limited. As a phenolic compound related to eugenol, it would be expected to have good oral bioavailability. Eugenol is known to be absorbed and metabolized by conjugation reactions. However, detailed ADME parameters for Bancroftinone are not available in the consulted sources.
Toxicity/Toxicokinetics
Toxicological data for Bancroftinone are limited. As a natural phenolic compound related to eugenol, it is generally considered to have low toxicity at dietary levels. However, comprehensive toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling the compound.
References

[1]. Phloroglucinol compounds of natural origin. Nat Prod Rep. 2006 Aug;23(4):558-91.

Additional Infomation
Bancroftinone is an aromatic ketone.
Bancroftinone is a natural product structurally related to eugenol, with potential antioxidant, anti-inflammatory, and antimicrobial activities. It is a research compound for studying the pharmacology of phenolic natural products. It is not approved for any clinical indication.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C11H14O4
Molecular Weight
210.23
Exact Mass
210.089
CAS #
14964-98-8
PubChem CID
11287272
Appearance
White to off-white solid
Melting Point
44–45 °C
LogP
1.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Heavy Atom Count
15
Complexity
229
Defined Atom Stereocenter Count
0
SMILES
O(C)C1=C(C(C)=O)C(=CC(=C1C)OC)O
InChi Key
DUTVTRPNMVUOIS-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3
Chemical Name
1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone
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 (475.67 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 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 (11.89 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.7567 mL 23.7835 mL 47.5670 mL
5 mM 0.9513 mL 4.7567 mL 9.5134 mL
10 mM 0.4757 mL 2.3783 mL 4.7567 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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