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Neophytadiene

Alias: Neophytadiene
Cat No.:V62393 Purity: ≥98%
Neophytadiene is a diterpene found in Turbinaria ornate that has anti~inflammatory, antioxidant and cardioprotective effects.
Neophytadiene
Neophytadiene Chemical Structure CAS No.: 504-96-1
Product category: Terpenoids
This product is for research use only, not for human use. We do not sell to patients.
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1mg
5mg
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Product Description
Neophytadiene is a diterpene extracted from Turbinaria ornate that has anti-inflammatory, antioxidant and cardioprotective effects.
Neophytadiene (CAS# 504-96-1) is a diterpene hydrocarbon with the molecular formula C20H38. It is a branched-chain alkene found in various plants and is a component of essential oils. Neophytadiene has been reported to exhibit various biological activities including antimicrobial, anti-inflammatory, and antioxidant properties. The compound is used in research applications for studying terpene chemistry and natural product biology. It is intended for research use only and is not for human therapeutic use.
Biological Activity I Assay Protocols (From Reference)
Targets
Neophytadiene targets various biological pathways through its terpene structure. As a diterpene hydrocarbon, it may interact with cellular membranes and modulate membrane fluidity. Its antimicrobial activity suggests interactions with microbial cell membranes. Its anti-inflammatory activity may involve modulation of inflammatory cytokine production. Its antioxidant properties suggest free radical scavenging activity. Further research is needed to identify its specific molecular targets and mechanisms of action.
ln Vitro
On RAW 264, neophytadiene has cytotoxic effects.7 cells exhibiting a 50 μM IC50[1]. Induction of NO production and downregulation of iNOS production in RAW264 induced by 1 μg/mL of LPS is effectively achieved by neophytadiene (50-100 μM; 30 min).Seven cells [1]. Neophytadiene (25-100 μM; 22 hours) dramatically reduces the production of NO as well as the inflammatory cytokines TNF-α, IL-6, IL-10, and IL-10 in RAW264 that has been induced by LPS (1 μg/mL). 7 cells [1].
In vitro studies have demonstrated that Neophytadiene exhibits antimicrobial, anti-inflammatory, and antioxidant activities. Its antimicrobial activity has been assessed against various bacterial and fungal strains. Its anti-inflammatory activity has been evaluated in cell-based assays measuring cytokine production. Its antioxidant activity has been assessed using cell-free systems such as DPPH radical scavenging assays. These in vitro findings support its potential applications in natural product research and drug discovery.
ln Vivo
The level of alanine aminotransferase (ALT) decreases in a dose-dependent manner when administered with neophytadiene (50 mg/kg; p.o.; daily; for 7 days)[1]. Neophytadiene (25–50 mg/kg; p.o.; daily; for 7 days) dramatically lowers the levels of IL-6 and 1L-10 that are elevated in heart tissue and in response to LPS (10 mg/kg)[1]. Neophytadiene (25–50 mg/kg; p.o.; daily; for 7 days) dramatically lowers the elevated PGE2 mRNA expression in heart tissue caused by LPS (10 mg/kg)[1]. In vivo, neophytadiene significantly reduces the production of NO and the inflammatory cytokines TNF-α, IL-6, IL-10, and IL-10 induced by LPS (10 mg/kg)[1].
In vivo studies of Neophytadiene are limited as the compound is primarily used as a research chemical. As a diterpene hydrocarbon found in various plants, it may contribute to the pharmacological effects of plant extracts. Its antimicrobial, anti-inflammatory, and antioxidant activities suggest potential for in vivo evaluation in relevant disease models. However, comprehensive in vivo pharmacological studies specifically targeting Neophytadiene are not well documented in the available literature. The compound is intended for research use only.
Enzyme Assay
In vitro enzyme assays for Neophytadiene typically involve testing its antioxidant and anti-inflammatory activities. Antioxidant activity is assessed using cell-free systems such as DPPH radical scavenging assays, ABTS assays, or ferric reducing antioxidant power (FRAP) assays. Anti-inflammatory activity is assessed by measuring inhibition of COX, LOX, or other inflammatory enzymes. Antimicrobial activity is assessed using standard disc diffusion or broth microdilution methods. All assays are performed with appropriate controls and standardized protocols.
Cell Assay
In vitro cell-based assays for Neophytadiene involve culturing cells to evaluate its anti-inflammatory and antimicrobial activities. For anti-inflammatory studies, immune cells are treated with the compound and stimulated with inflammatory stimuli; cytokine production is measured by ELISA. For antimicrobial studies, bacterial or fungal cultures are treated with the compound and cell viability is monitored. Cell viability is assessed using MTT or similar colorimetric assays. All experiments are performed in triplicate with appropriate controls.
Animal Protocol
Animal/Disease Models: Adult male Sprague Dawley rats (6-8 weeks)[1]
Doses: 12 mg/kg, 25 mg/kg, 50 mg/kg
Route of Administration: Oral administration, daily, for 7 days
Experimental Results: diminished haemoglobin (HGB) level, ALT level, and heart tissue TNF-α, IL1β, NF-κB, iNOS, PI3k/AktandMAPK in LPS (10 mg/kg)-treat rats.
In vivo animal experiments for Neophytadiene would be conducted to evaluate its antimicrobial, anti-inflammatory, and antioxidant activities. For antimicrobial studies, infected animals would be treated and pathogen load assessed. For anti-inflammatory studies, animals with induced inflammation would be treated and inflammatory markers measured. For antioxidant studies, animals would be administered the compound and markers of oxidative stress measured. Parameters assessed would include body weight, organ weights, and histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines.
ADME/Pharmacokinetics
The pharmacokinetic properties of Neophytadiene reflect its nature as a diterpene hydrocarbon. It has a molecular formula of C20H38. As a lipophilic hydrocarbon, it would be absorbed through the gastrointestinal tract and distributed to lipid-rich tissues. The compound is expected to be metabolized through standard xenobiotic pathways in the liver. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic studies.
Toxicity/Toxicokinetics
The toxicity profile of Neophytadiene has been evaluated in the context of its use as a research chemical. As a naturally occurring diterpene hydrocarbon found in various plants, it is expected to have a favorable safety profile at research concentrations. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile.
References

[1]. Neophytadiene from Turbinaria ornata Suppresses LPS-Induced Inflammatory Response in RAW 264.7 Macrophages and Sprague Dawley Rats. Inflammation. 2020 Jun;43(3):937-950.

Additional Infomation
Neophytadiene is a diterpene with the structure 3-methylenehexadec-1-ene, substituted with methyl groups at positions 7, 11, and 15. It possesses dual activities including anti-inflammatory, antibacterial, and phytometabolic activity. It is both an olefin and a diterpene. Neophytadiene has been reported to exist in scallions (Allium ampeloprasum), Canary seaweed (Cedronella canariensis), and other organisms with relevant data.
Neophytadiene (CAS# 504-96-1) is a diterpene hydrocarbon with the molecular formula C20H38. It is a branched-chain alkene found in various plants and is a component of essential oils. Neophytadiene has been reported to exhibit various biological activities including antimicrobial, anti-inflammatory, and antioxidant properties. The compound is used in research applications for studying terpene chemistry and natural product biology. It is intended for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H38
Molecular Weight
278.52
Exact Mass
278.297
CAS #
504-96-1
PubChem CID
10446
Appearance
Colorless to light yellow liquid
Density
0.796g/cm3
Boiling Point
344.5ºC at 760mmHg
Flash Point
160.2ºC
Index of Refraction
1.449
LogP
7.167
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
13
Heavy Atom Count
20
Complexity
249
Defined Atom Stereocenter Count
0
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
InChi Key
NIDGCIPAMWNKOA-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
Chemical Name
7,11,15-trimethyl-3-methylidenehexadec-1-ene
Synonyms
Neophytadiene
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 3.5904 mL 17.9520 mL 35.9041 mL
5 mM 0.7181 mL 3.5904 mL 7.1808 mL
10 mM 0.3590 mL 1.7952 mL 3.5904 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:
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  • 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

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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:
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  • 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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