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Isopropyl ferulate

Cat No.:V34210 Purity: ≥98%
Isopropyl ferulate is an extract of Notopterygium incisum, which can be used for the reduction of active molecules, the preparation of antifungal compound/agents, cosmetics and oxidants.
Isopropyl ferulate
Isopropyl ferulate Chemical Structure CAS No.: 59831-94-6
Product category: Natural Products
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
100mg
Other Sizes
Official Supplier of:
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Product Description
Isopropyl ferulate is an extract of Notopterygium incisum, which can be used for the reduction of active molecules, the preparation of antifungal compound/agents, cosmetics and oxidants.
Isopropyl ferulate is an ester derivative of ferulic acid, a well-known hydroxycinnamic acid with strong antioxidant properties. It is an extract of Notopterygium incisum (羌活). Isopropyl ferulate has been studied for its potential applications in cosmetics, pharmaceuticals, and food preservation, where it may act as an antioxidant, anti-inflammatory, and UV-protective agent. It has a molecular weight of 236.26 and a molecular formula of C13H1₆O4.
Biological Activity I Assay Protocols (From Reference)
Targets
Isopropyl ferulate does not have a well-defined biological target. As an ester derivative of ferulic acid, it exhibits antioxidant activity by scavenging free radicals and chelating metal ions. Its anti-inflammatory activity may involve the inhibition of pro-inflammatory mediators. The compound may also act as a UV-protective agent by absorbing ultraviolet radiation. Its primary targets are reactive oxygen species and inflammatory pathways.
ln Vitro
In vitro studies demonstrate that Isopropyl ferulate exhibits antioxidant, anti-inflammatory, and UV-protective activities. The compound's antioxidant activity is assessed using DPPH, ABTS, or ORAC assays, where it scavenges free radicals. Its anti-inflammatory activity is evaluated in cell-based assays by measuring the inhibition of pro-inflammatory cytokine production (e.g., TNF-alpha, IL-6) in stimulated immune cells. The compound's UV-protective activity is assessed by measuring its ability to absorb UV radiation.
ln Vivo
In vivo activity of Isopropyl ferulate has not been extensively characterized in the available literature. As a natural product with antioxidant and anti-inflammatory properties, the compound has potential applications in cosmetics and pharmaceuticals. However, detailed in vivo efficacy data, including specific disease models and dosing regimens, are not extensively reported. The compound is primarily used as a research tool.
Enzyme Assay
In vitro assays for Isopropyl ferulate involve measuring its antioxidant, anti-inflammatory, and UV-protective activities. Antioxidant activity is assessed using DPPH, ABTS, or ORAC assays, where the compound's ability to scavenge free radicals is measured spectrophotometrically. Anti-inflammatory activity is evaluated in cell-based assays by measuring the inhibition of pro-inflammatory cytokine production (e.g., TNF-alpha, IL-6) in LPS-stimulated macrophages using ELISA. UV-protective activity is assessed by measuring the compound's UV absorption spectrum.
Cell Assay
Cellular assays for Isopropyl ferulate are conducted to evaluate its anti-inflammatory and antioxidant effects. Immune cells (e.g., macrophages) are treated with the compound and stimulated with LPS or other inflammatory stimuli. Cytokine production (e.g., TNF-alpha, IL-6, IL-1beta) is measured by ELISA or qPCR. Oxidative stress markers such as ROS levels are measured using fluorescent probes (e.g., DCFH-DA). Cell viability is assessed using MTT or similar assays to ensure that observed effects are not due to cytotoxicity.
Animal Protocol
In vivo animal studies for Isopropyl ferulate are limited. For anti-inflammatory studies, animal models of inflammation (e.g., carrageenan-induced paw edema) could be used. For antioxidant studies, models of oxidative stress could be employed. Animals would be treated with the compound via oral or topical administration at various doses. Inflammatory markers or oxidative stress markers would be assessed. However, specific in vivo study protocols are not extensively reported.
ADME/Pharmacokinetics
Pharmacokinetic properties of Isopropyl ferulate have not been extensively characterized. The compound has a molecular weight of 236.26 and a molecular formula of C13H1₆O4. It is soluble in chloroform, dichloromethane, ethyl acetate, DMSO, and acetone. The compound is typically stored at -20degC, protected from light. Detailed PK parameters such as half-life, bioavailability, and volume of distribution are not reported in the available literature.
Toxicity/Toxicokinetics
Toxicological data for Isopropyl ferulate are limited. The compound is not intended for human therapeutic use and is supplied for research purposes only. In cell-based assays, the compound is generally well-tolerated at concentrations used for activity studies. The compound is derived from natural sources and is considered to have low toxicity. Standard safety precautions should be followed when handling this compound.
References

[1]. Synthesis of isopropyl ferulate using silica-immobilized lipase in an organic medium. Enzyme Res. 2011;2011:718949.

[2]. Anti-austerity agents from Rhizoma et Radix Notopterygii (Qianghuo). Planta Med. 2012 May;78(8):796-9.

Additional Infomation
Isopropyl ferulate is an ester derivative of ferulic acid with antioxidant, anti-inflammatory, and UV-protective properties. It is an extract of Notopterygium incisum. The compound has potential applications in cosmetics, pharmaceuticals, and food preservation. It is not an FDA-approved drug and has no clinical indications. The compound is available in high purity (≥98%) and is typically stored at -20degC, protected from light.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H16O4
Molecular Weight
236.2637
Exact Mass
236.105
CAS #
59831-94-6
PubChem CID
6434600
Appearance
White to off-white solid
Density
1.145g/cm3
Boiling Point
358.2ºC at 760mmHg
Flash Point
131.9ºC
Index of Refraction
1.556
LogP
2.365
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Heavy Atom Count
17
Complexity
273
Defined Atom Stereocenter Count
0
SMILES
O(C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])O[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H]
InChi Key
KBTWMQRNUHIETA-FNORWQNLSA-N
InChi Code
InChI=1S/C13H16O4/c1-9(2)17-13(15)7-5-10-4-6-11(14)12(8-10)16-3/h4-9,14H,1-3H3/b7-5+
Chemical Name
propan-2-yl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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: 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)
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 : PEG300Tween 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 : PEG300Tween 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 4.2326 mL 21.1631 mL 42.3263 mL
5 mM 0.8465 mL 4.2326 mL 8.4653 mL
10 mM 0.4233 mL 2.1163 mL 4.2326 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

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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)
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  • 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.

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  • 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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