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β-Pinene

Alias: β-Pinene β Pinene
Cat No.:V39894 Purity: ≥98%
β-Pinene is a natural andmajor component of turpentine that inhibit infectious bronchitis virus (IBV)with an IC50 of 1.32 mM.
β-Pinene
β-Pinene Chemical Structure CAS No.: 18172-67-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5g
10g
Other Sizes
Official Supplier of:
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Product Description
β-Pinene is a natural and major component of turpentine that inhibit infectious bronchitis virus (IBV) with an IC50 of 1.32 mM. Antimicrobial activity.
β-Pinene (CAS#: 18172-67-3) is a naturally occurring monoterpene hydrocarbon found abundantly in essential oils from pine trees and other plants. With the molecular formula C10H16 and a molecular weight of 136.23, (-)-β-pinene is the (1S)-(-) enantiomer of β-pinene. It is a clear, colorless liquid with a fresh, pine-like scent. β-Pinene is known for its antioxidant, anti-inflammatory, and antimicrobial activities, making it valuable in pharmaceutical and cosmetic applications. It is also used as a biochemical for proteomics research.
Biological Activity I Assay Protocols (From Reference)
Targets
β-Pinene does not have a well-defined single pharmacological target, as it is a natural monoterpene with multiple biological activities. It has been reported to have antioxidant, anti-inflammatory, and antimicrobial properties. The compound may interact with various cellular targets, including enzymes and receptors involved in inflammation and oxidative stress. Its mechanisms of action may involve modulation of inflammatory pathways, scavenging of reactive oxygen species, and disruption of bacterial cell membranes. However, its specific binding targets have not been fully characterized.
ln Vitro
β-Pinene demonstrates in vitro antioxidant, anti-inflammatory, and antimicrobial activities. It has been shown to scavenge free radicals, reduce the production of inflammatory mediators, and inhibit the growth of various microorganisms. The compound's antimicrobial activity is related to its ability to disrupt bacterial cell membranes and interfere with essential cellular processes. These in vitro results indicate that β-pinene has multiple pharmacological activities that may be relevant for various therapeutic applications.
ln Vivo
In vivo activity data for β-Pinene are limited, as the compound is primarily used as a research tool and as a flavor/fragrance ingredient. Its antioxidant, anti-inflammatory, and antimicrobial activities suggest potential applications in various disease models. However, comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety have not been extensively reported. The compound has been reported to have neurotoxic effects and insecticidal activity. Further research is needed to assess its potential for in vivo applications.
Enzyme Assay
In vitro enzyme/receptor binding experiments for β-Pinene are not typical, as it is a natural monoterpene with multiple biological activities rather than a well-defined pharmacologically active compound. Studies may involve measuring its antioxidant activity using assays such as DPPH radical scavenging or ABTS assays. Its anti-inflammatory activity can be assessed by measuring its effects on inflammatory mediators in cell-based assays. Its antimicrobial activity is assessed using broth microdilution or disk diffusion methods. Its chemical properties are characterized using standard analytical methods such as GC and GC-MS.
Cell Assay
In vitro cellular experiments for β-Pinene typically involve studying its effects on various cell types, including immune cells, cancer cells, or microbial cells. For anti-inflammatory studies, cells are treated with the compound, and the production of inflammatory mediators such as cytokines or prostaglandins is measured. For antimicrobial studies, the compound's ability to inhibit the growth of bacteria or fungi is assessed. Cytotoxicity is assessed in parallel to ensure that the observed effects are not due to cell death. The compound's antioxidant activity can be assessed by measuring its ability to protect cells from oxidative stress.
Animal Protocol
In vivo animal experiments for β-Pinene would typically involve administering the compound to rodents via oral gavage, inhalation, or topical application. Inflammation models could be used to assess its anti-inflammatory effects. Infection models could be used to assess its antimicrobial effects. However, comprehensive in vivo studies have not been extensively reported. The compound's neurotoxic effects and insecticidal activity have been noted. Further research is needed to evaluate its pharmacokinetic properties and efficacy in animal models.
ADME/Pharmacokinetics
Pharmacokinetic properties of β-Pinene have been partially characterized. With a molecular weight of 136.23 and high lipophilicity (logP ~4), the compound is expected to be well absorbed and widely distributed in the body. It is volatile and can be absorbed through inhalation and skin contact. The compound is metabolized in the liver and excreted in urine. However, detailed pharmacokinetic studies are limited. Its neurotoxic effects suggest that it may accumulate in the central nervous system.
Toxicity/Toxicokinetics
Toxicological data for β-Pinene indicate that it has neurotoxic effects and insecticidal activity. Inhalation or ingestion of high concentrations may cause central nervous system depression, respiratory irritation, and other adverse effects. The compound is considered to be of low acute toxicity but may cause skin and eye irritation. Comprehensive toxicology studies, including chronic toxicity and carcinogenicity, have not been extensively reported. Researchers handling this compound should follow standard safety protocols for handling terpenes, including the use of personal protective equipment and working in a well-ventilated area.
References

[1]. Linalool and β-pinene exert their antidepressant-like activity through the monoaminergic pathway. Life Sci. 2015 May 1;128:24-9.

[2]. Comparative anti-infectious bronchitis virus (IBV) activity of (-)-pinene: effect on nucleocapsid (N) protein. Molecules. 2011 Jan 25;16(2):1044-54.

Additional Infomation
(-)-β-pinene is the (1S,5S)-enantiomer of β-pinene and also the enantiomer of (+)-β-pinene. It has been reported that (-)-β-pinene is found in tea (Camellia sinensis), magnolia officinalis, and other organisms for which relevant data are available. See also: β-pinene (note moved here).
β-Pinene is a natural product that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a flavor and fragrance ingredient, as well as a research tool for studying the pharmacological activities of monoterpenes. The compound's antioxidant, anti-inflammatory, and antimicrobial activities make it a valuable candidate for further research in pharmaceutical and cosmetic applications. However, its neurotoxic effects and volatility may limit its therapeutic potential.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₁₀H₁₆
Molecular Weight
136.23
Exact Mass
136.125
CAS #
18172-67-3
PubChem CID
440967
Appearance
Colorless to light yellow liquid
Density
0.9±0.1 g/cm3
Boiling Point
166.0±0.0 °C at 760 mmHg
Melting Point
-61ºC
Flash Point
34.9±5.8 °C
Vapour Pressure
2.4±0.1 mmHg at 25°C
Index of Refraction
1.484
LogP
4.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Heavy Atom Count
10
Complexity
177
Defined Atom Stereocenter Count
2
SMILES
C=C1CC[C@H]2C[C@@H]1C2(C)C
InChi Key
WTARULDDTDQWMU-IUCAKERBSA-N
InChi Code
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
Chemical Name
(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
Synonyms
β-Pinene β Pinene
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)
DMSO : ≥ 250 mg/mL (~1835.13 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 6.25 mg/mL (45.88 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 62.5 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: ≥ 6.25 mg/mL (45.88 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 62.5 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: ≥ 6.25 mg/mL (45.88 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 62.5 mg/mL clear DMSO stock solution to 900 μL 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 7.3405 mL 36.7026 mL 73.4053 mL
5 mM 1.4681 mL 7.3405 mL 14.6811 mL
10 mM 0.7341 mL 3.6703 mL 7.3405 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
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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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  • 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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