| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
| Targets |
The molecular targets of (-)-(E)-α-Atlantone have not been definitively identified. As a sesquiterpene, it may interact with multiple cellular targets, including membrane receptors, enzymes, and transcription factors. Many sesquiterpenes are known to modulate inflammatory pathways, including inhibition of NF-κB, COX-2, and iNOS. They may also affect oxidative stress pathways by scavenging free radicals and modulating antioxidant enzyme activity. The compound's α,β-unsaturated carbonyl moiety may allow it to act as a Michael acceptor, covalently modifying nucleophilic residues on target proteins, similar to other bioactive sesquiterpenes. However, specific target identification studies for (-)-(E)-α-Atlantone are limited, and further research is needed to elucidate its precise mechanism of action.
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| ln Vitro |
In vitro, (-)-(E)-α-Atlantone may exhibit anti-inflammatory, antioxidant, and anticancer activities, consistent with other sesquiterpenes. It has been studied in various cell-based assays for its effects on inflammatory cytokine production, cell proliferation, and apoptosis. The compound may inhibit the production of pro-inflammatory mediators such as TNF-α, IL-6, and NO in activated macrophages. It may also induce apoptosis in cancer cell lines through modulation of signaling pathways. However, specific in vitro activity data for (-)-(E)-α-Atlantone are limited, and most information is inferred from studies of related sesquiterpenes. Further studies are needed to fully characterize its in vitro biological activities and potency. Its potential as a lead compound for drug discovery is an area of ongoing research.
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| ln Vivo |
In vivo, (-)-(E)-α-Atlantone has been studied in animal models for its anti-inflammatory and analgesic effects. As a component of essential oils, it may contribute to the observed biological activities of the oil, including anti-inflammatory and antimicrobial effects. However, specific in vivo studies on the pure compound are limited. The compound's bioavailability, metabolism, and pharmacokinetic properties have not been well-characterized. Its in vivo effects are likely dose-dependent and may vary depending on the route of administration. Further studies are needed to determine the therapeutic potential of (-)-(E)-α-Atlantone in preclinical models of inflammation, infection, and cancer. The compound is primarily used as a research tool for studying sesquiterpene biology and pharmacology.
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| Enzyme Assay |
The in vitro assays for studying the biological activities of (-)-(E)-α-Atlantone typically involve cell-based models of inflammation, oxidative stress, or cancer. For anti-inflammatory assays, macrophages (e.g., RAW 264.7) are stimulated with LPS and treated with the compound at varying concentrations (typically 0.1 to 100 µM). Nitric oxide production is measured using the Griess assay. Cytokine levels (TNF-α, IL-6, IL-1β) are measured by ELISA. For antioxidant assays, cells are treated with the compound and exposed to oxidative stress (e.g., H2O2), and ROS levels are measured using fluorescent probes such as DCFH-DA. For anticancer assays, cancer cell lines are treated with the compound, and cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is evaluated by Annexin V/PI staining and caspase activity assays. All experiments include appropriate controls and are performed in triplicate.
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| Cell Assay |
For in vitro cellular assays, various cell lines (e.g., cancer cells, macrophages, neuronal cells) are treated with (-)-(E)-α-Atlantone at concentrations ranging from 0.1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. Inflammatory markers are measured by ELISA or qRT-PCR. Oxidative stress markers are assessed using fluorescent probes and biochemical assays. For mechanism studies, the effects of the compound on signaling pathways (e.g., NF-κB, MAPK, PI3K/AKT) are assessed by Western blotting. Apoptosis is evaluated using Annexin V/PI staining and caspase activity assays. All experiments include appropriate controls (vehicle, positive controls) and are performed in triplicate.
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| Animal Protocol |
For in vivo studies, (-)-(E)-α-Atlantone may be administered to rodents via intraperitoneal injection or oral gavage at doses ranging from 10 to 100 mg/kg. In anti-inflammatory studies, the compound may be tested in models such as carrageenan-induced paw edema or LPS-induced systemic inflammation. In analgesic studies, the compound may be tested in models such as the hot plate test or acetic acid-induced writhing test. In anticancer studies, the compound may be tested in xenograft models. However, specific in vivo protocols for (-)-(E)-α-Atlantone are not well-documented, and most information is inferred from studies of related sesquiterpenes. All animal procedures should be conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of (-)-(E)-α-Atlantone have not been well-characterized. As a lipophilic sesquiterpene, it is expected to have moderate oral absorption and extensive tissue distribution. It likely undergoes hepatic metabolism, including oxidation and conjugation reactions. The compound's plasma half-life and bioavailability have not been determined in published studies. Its pharmacokinetic properties would need to be investigated if it were to be developed as a therapeutic agent. For research purposes, the compound is typically used in in vitro studies, and in vivo studies are limited. Further research is needed to characterize its absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
The toxicology of (-)-(E)-α-Atlantone has not been extensively characterized. As a naturally occurring sesquiterpene, it is generally considered to have low toxicity, though comprehensive toxicology studies have not been performed. In acute toxicity studies, the compound is likely tolerated at moderate doses with no significant adverse effects. At high doses, sesquiterpenes may cause gastrointestinal irritation or hepatotoxicity. The compound should be handled with appropriate laboratory safety precautions, as it is a research chemical and not approved for human use. Comprehensive toxicology studies would be required if the compound were to be considered for therapeutic development.
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| References | |
| Additional Infomation |
(-)-(E)-α-Atlantone is a naturally occurring sesquiterpene with potential bioactive properties, including anti-inflammatory, antioxidant, and anticancer activities. It is a research tool for studying the biological activities of sesquiterpenes and their potential therapeutic applications. The compound is not approved for human use and has not entered clinical trials. Its mechanism of action and molecular targets are not fully characterized, and further research is needed to elucidate its pharmacological properties. The compound is available as a research-grade reagent for laboratory use only. Its natural occurrence and structural features make it an interesting compound for studying sesquiterpene biology and for drug discovery efforts targeting inflammation, cancer, and infectious diseases.
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| Molecular Formula |
C15H22O
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|---|---|
| Molecular Weight |
218.335
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| Exact Mass |
218.167
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| CAS # |
108645-54-1
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| PubChem CID |
57335475
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| Appearance |
liquid
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
352
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=CC[C@H](CC1)/C(=C/C(=O)C=C(C)C)/C
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| InChi Key |
OJEFBZMKKJTKKK-JWAFFJSPSA-N
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| InChi Code |
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10+/t14-/m1/s1
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| Chemical Name |
(5E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,5-dien-4-one
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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) |
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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5800 mL | 22.9001 mL | 45.8001 mL | |
| 5 mM | 0.9160 mL | 4.5800 mL | 9.1600 mL | |
| 10 mM | 0.4580 mL | 2.2900 mL | 4.5800 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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