| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
(E)-beta-Farnesene has several molecular targets depending on the biological context. In aphids, it interacts with specific odorant-binding proteins (OBPs) and odorant receptors (ORs) on the antennae, triggering the avoidance behavior. Specifically, it has been shown to have good binding affinity to odorant-binding protein 3 (OBP3). In silico studies have predicted that (E)-beta-Farnesene binds to the human CDK2 (Cyclin-Dependent Kinase 2) receptor with a good binding score of -30.64 kcal/mol. CDK2 is a key regulator of the cell cycle, and its inhibition is a target for cancer therapy. Therefore, (E)-beta-Farnesene may also act as a modulator of this kinase, though this has not been experimentally validated in vitro.
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| ln Vitro |
In vitro, (E)-beta-Farnesene is not a typical compound for cytotoxicity assays, but it has been studied for its behavioral effects in insects. In a two-choice olfactometer, it is used to assess repellency; at a concentration of 0.2 ng, it induces dispersion of 50% of M. persicae aphids. It also acts as a feeding stimulant for sandfly Lutzomyia longipalpis. In vitro studies on its potential anticancer activity are limited, but computational docking studies suggest it binds to the active site of CDK2 with a high affinity. No experimental IC₅0 values against CDK2 have been reported. Its lack of direct antimicrobial activity makes it distinct from other terpenes.
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| ln Vivo |
In vivo, (E)-beta-Farnesene is used primarily as an insect semiochemical. In aphid colonies, it triggers a rapid dispersal response. In agricultural research, it is released in a controlled manner to disrupt aphid populations. In mouse models, it has been studied as a potential feeding stimulant for sandflies to lure them to traps containing insecticides, reducing the spread of Leishmania. It has not been studied in vivo as a direct therapeutic agent for human diseases, despite its predicted binding to CDK2. Its high volatility makes it a poor candidate for systemic therapy. Any in vivo biological effects would be associated with its metabolites.
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| Enzyme Assay |
For a compound like (E)-beta-Farnesene, a non-cellular binding assay is typically performed using in silico docking. However, a standard in vitro protein-binding assay could be developed. To confirm its binding to CDK2, a surface plasmon resonance (SPR) assay can be used. Recombinant human CDK2 protein is immobilized on a sensor chip. (E)-beta-Farnesene is injected at various concentrations (0.1-100 uM) in a buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 0.005% Tween-20) at 25degC. The association and dissociation phases are recorded, and the equilibrium dissociation constant (KD) is calculated. For binding to OBPs, a similar SPR or fluorescence binding assay can be performed using fluorescently labeled (E)-beta-Farnesene as a tracer. No standard protocol is described.
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| Cell Assay |
A typical in vitro cell-based assay for (E)-beta-Farnesene is not standard, as its primary use is as an insect semiochemical. However, a MTT assay can be performed on a human cancer cell line (e.g., HeLa or A549) to evaluate its potential as a CDK2 inhibitor. Cells are cultured in DMEM with 10% FBS at 37degC, 5% CO2. Cells are seeded in 96-well plates at 5 × 103 cells/well and allowed to adhere overnight. The next day, the medium is replaced with fresh medium containing various concentrations of (E)-beta-Farnesene (0-100 uM) for 48 hours. Then, 10 uL of MTT solution (5 mg/mL) is added to each well and incubated for 4 hours. The medium is removed, and the formazan crystals are dissolved in 100 uL of DMSO. The absorbance is measured at 570 nm. The IC₅0 can be calculated from the dose-response curve. No such activity has been reported.
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| Animal Protocol |
There is no standard in vivo animal study for (E)-beta-Farnesene as a drug. For an insect behavioral study, a laboratory aphid colony is used. A filter paper disc is treated with a dilute solution of (E)-beta-Farnesene (e.g., 1 ng to 1 ug) in hexane. The control disc is treated with hexane alone. The disc is placed in a small arena containing 20-30 aphids. The number of aphids leaving the area or dispersing is counted at intervals over 10 minutes. The effective concentration that causes 50% dispersal (ED₅0) is calculated. For feeding studies on sandflies, the compound is mixed with a sugar solution and offered to flies in a cage, and the number of flies that feed is compared to a control.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of (E)-beta-Farnesene are relevant only for its use as a volatile chemical. As a volatile, low-molecular-weight (204.35 g/mol) hydrophobic sesquiterpene, it would be readily absorbed through the lungs if inhaled. It would be rapidly metabolized in the liver, likely by cytochrome P450 enzymes, into more polar metabolites that are excreted in the urine. Oral absorption would be high due to its lipophilicity, but it would undergo extensive first-pass metabolism. Its high volatility makes it unsuitable for oral or IV administration. There is no detailed PK data on (E)-beta-Farnesene in mammals. Its use in humans is limited to flavor and fragrance applications.
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| Toxicity/Toxicokinetics |
Toxicological data for (E)-beta-Farnesene is not extensive. It is generally recognized as safe (GRAS) as a flavoring agent by the FDA. It is a natural component of many foods. At high concentrations, it can cause skin and eye irritation. It is not considered a carcinogen or a mutagen. It is classified as a volatile organic compound (VOC) and should be handled in a well-ventilated area to prevent inhalation. Standard safety precautions (gloves, lab coat, safety goggles) should be used. (E)-beta-Farnesene is dangerous to the environment, especially to aquatic organisms.
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| References |
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| Additional Infomation |
Trans-β-farnesene is a β-farnesene with an E configuration at the 6-7 position of its double bond. It is the primary or sole alarm pheromone for most aphid species. It is both an alarm pheromone and a metabolite. β-farnesene has been reported in tea (Camellia sinensis), hops (Humulus lupulus), and other organisms with relevant data.
(E)-beta-Farnesene is not a drug and has no clinical status. It is a naturally occurring semiochemical used in agricultural research to control aphid populations. Its mechanism of action in insects is via binding to olfactory receptors, triggering an alarm response. It is also a candidate for repurposing as an anticancer agent, as in silico studies predict it binds to CDK2. However, this has not been validated in vitro or in vivo. No clinical trials have been registered for (E)-beta-Farnesene as a therapeutic agent. It is also used in cosmetics and as a flavoring agent. For research use only; not for human therapeutic or diagnostic use. |
| Molecular Formula |
C15H24
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|---|---|
| Molecular Weight |
204.35106
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| Exact Mass |
204.188
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| CAS # |
18794-84-8
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| Related CAS # |
1207091-65-3
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| PubChem CID |
5281517
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.807 g/cm3
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| Boiling Point |
272.5ºC at 760 mmHg
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| Melting Point |
< 25ºC
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| Flash Point |
230°F(110ºC)
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| Vapour Pressure |
0.0101mmHg at 25°C
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| Index of Refraction |
1.47
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| LogP |
5.201
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
15
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| Complexity |
260
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C
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| InChi Key |
JSNRRGGBADWTMC-NTCAYCPXSA-N
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| InChi Code |
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
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| Chemical Name |
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 33.33 mg/mL (163.10 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.23 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 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 | 4.8936 mL | 24.4678 mL | 48.9356 mL | |
| 5 mM | 0.9787 mL | 4.8936 mL | 9.7871 mL | |
| 10 mM | 0.4894 mL | 2.4468 mL | 4.8936 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.
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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