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| Other Sizes |
| Targets |
trans-Hex-2-enoic acid inhibits acetylcholinesterase (AChE) of Electrophorus electricus. It has demonstrated antiviral activity against Coxsackievirus B and Enterovirus A71. The compound shows significant cytotoxicity. As a fatty acid, it may interact with cell membranes and modulate membrane fluidity. The compound's ability to form hydrogen bonds may influence its interactions with biological targets. Its antiviral properties make it potentially valuable for studying viral infections.
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| ln Vitro |
In vitro, trans-hex-2-enoic acid inhibits acetylcholinesterase from electric eel. It has demonstrated antiviral activity against Coxsackievirus B and Enterovirus A71. The compound shows significant cytotoxicity. It is used as a biochemical reagent in various research applications. Cellular assays typically evaluate its enzyme inhibition, antiviral activity, or cytotoxic effects. The compound's ability to form hydrogen bonds may influence its biological activity.
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| ln Vivo |
In vivo data for trans-hex-2-enoic acid is limited, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Its antiviral activity against Coxsackievirus B and Enterovirus A71 suggests potential for in vivo efficacy. The compound's cytotoxicity may limit its therapeutic applications. Specific in vivo data for therapeutic applications is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme assays for trans-hex-2-enoic acid typically evaluate its activity against acetylcholinesterase. A standard assay protocol involves incubating the compound with purified AChE from Electrophorus electricus in appropriate buffer systems containing the substrate (acetylthiocholine). The compound is dissolved in an appropriate solvent and diluted to working concentrations (typically 0.1-1000 μM). Enzyme activity is measured by quantifying thiocholine production using Ellman's method (colorimetric detection at 412 nm). IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for trans-hex-2-enoic acid typically evaluate its antiviral activity or cytotoxicity. A standard protocol involves culturing appropriate cell lines (e.g., Vero cells for virus studies) in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound (typically 1-1000 μg/mL). For antiviral assays, cells are infected with virus and viral replication is measured by plaque assay or qRT-PCR. Cytotoxicity is assessed using MTT or similar assays. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for trans-hex-2-enoic acid are not standard, as it is a research reagent rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically evaluate its antiviral efficacy or toxicological profile. The compound's cytotoxicity may influence dosing and administration. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for trans-hex-2-enoic acid is limited, as it is primarily a research reagent. The compound has a molecular weight of approximately 114.14 g/mol. It is stored as a liquid or solid at room temperature. As a fatty acid, it may be absorbed through passive diffusion and metabolized by beta-oxidation. The compound's ability to form hydrogen bonds may influence its distribution. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for trans-hex-2-enoic acid is limited. The compound shows significant cytotoxicity, suggesting potential toxicity at higher concentrations. The compound is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed.
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| Additional Infomation |
(2E)-Hexenoic acid is the (E)-stereoisomer of hexenoic acid, a metabolite, and the conjugate acid of (2E)-hexenoate. Trans-2-hexenoic acid has been reported in grapes (Vitis vinifera), euphorbia tithymaloides, and Deschampsia antarctica, with relevant data available. See also: Burdock root (partial).
trans-Hex-2-enoic acid (CAS 13419-69-7) is a biochemical reagent that inhibits acetylcholinesterase from electric eel. It has demonstrated antiviral activity against Coxsackievirus B and Enterovirus A71. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research. |
| Molecular Formula |
C6H10O2
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|---|---|
| Molecular Weight |
114.14
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| Exact Mass |
114.068
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| CAS # |
13419-69-7
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| PubChem CID |
5282707
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| Appearance |
<29°C Solid Powder,>34°C Liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
216.5±0.0 °C at 760 mmHg
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| Melting Point |
28.00 to 34.00 °C. @ 760.00 mm Hg
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| Flash Point |
115.4±9.6 °C
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| Vapour Pressure |
0.1±0.8 mmHg at 25°C
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| Index of Refraction |
1.456
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| LogP |
1.87
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
94.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(/C(/[H])=C(\[H])/C([H])([H])C([H])([H])C([H])([H])[H])=O
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| InChi Key |
NIONDZDPPYHYKY-SNAWJCMRSA-N
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| InChi Code |
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
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| Chemical Name |
(E)-hex-2-enoic acid
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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 | 8.7612 mL | 43.8059 mL | 87.6117 mL | |
| 5 mM | 1.7522 mL | 8.7612 mL | 17.5223 mL | |
| 10 mM | 0.8761 mL | 4.3806 mL | 8.7612 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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