| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
The primary targets of 13(E)-Docosenoic acid include human liver cells, where it has been shown to induce cellular changes. The compound is capable of inhibiting synchronous fluorescence in vitro, suggesting interactions with cellular components that affect fluorescence properties. Its potential as an anti-cancer drug indicates interactions with cancer cell targets. As a trans fatty acid, it may interact with fatty acid receptors and metabolic enzymes. The compound can react with primary amines, secondary amines, as well as aliphatic and aromatic amines to synthesize a series of novel amide compounds, which are widely used as corrosion inhibitors. Its plant physiological effects suggest interactions with plant hormone signaling pathways.
|
|---|---|
| ln Vitro |
In vitro studies have demonstrated that 13(E)-Docosenoic acid induces human liver cells to undergo specific changes. The compound is capable of inhibiting synchronous fluorescence in vitro, indicating its potential as an anti-cancer drug. Its ability to react with various amines to form amide compounds has been characterized. As a monounsaturated trans fatty acid, its effects on cell membranes and metabolic pathways have been studied. The compound's fluorescence inhibition properties suggest interactions with fluorescent molecules or cellular components. These in vitro findings support its potential applications in cancer research and materials science. Further cell-based studies are needed to fully characterize its biological activities.
|
| ln Vivo |
In vivo studies of 13(E)-Docosenoic acid are limited, as the compound is primarily used in research and industrial applications. Its potential as an anti-cancer drug based on in vitro findings suggests that in vivo evaluation in animal models of cancer would be warranted. As a fatty acid, it would be absorbed through the gastrointestinal tract and metabolized through standard fatty acid oxidation pathways. Its plant physiological effects have been observed in plant models, including inducing seed germination and inhibiting flowering. The compound's use in producing specialty polymers, lubricants, and surfactants indicates industrial applications rather than therapeutic use. Further research is needed to fully characterize its in vivo pharmacological properties.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 13(E)-Docosenoic acid typically involve testing its interactions with fatty acid receptors and metabolic enzymes. For fluorescence inhibition studies, synchronous fluorescence spectroscopy is used to measure the compound's ability to inhibit fluorescence in cell-free systems. The compound's reactivity with primary amines, secondary amines, and aromatic amines is characterized using analytical chemistry methods such as nuclear magnetic resonance spectroscopy and mass spectrometry. For potential anticancer activity, enzyme inhibition assays targeting cancer-relevant enzymes may be performed. Antioxidant activity can be assessed using cell-free systems such as DPPH radical scavenging assays. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
|
| Cell Assay |
In vitro cell-based assays for 13(E)-Docosenoic acid involve culturing human liver cells to evaluate its effects. Cells are treated with varying concentrations of the compound for specified durations, after which cell viability is assessed using MTT, CCK-8, or similar colorimetric assays. For anticancer activity evaluation, various cancer cell lines are treated with the compound and cell proliferation is measured. Apoptosis is quantified using flow cytometry with Annexin V/PI staining or via caspase activity measurements. For fluorescence inhibition studies, cellular fluorescence is measured using flow cytometry or fluorescence microscopy. The compound's effects on cell metabolism are evaluated by measuring relevant metabolic markers. All experiments are performed in triplicate with appropriate controls to ensure statistical reliability.
|
| Animal Protocol |
In vivo animal experiments for 13(E)-Docosenoic acid are limited, as the compound is primarily used in research and industrial applications. For potential anticancer studies, tumor-bearing animals (typically mice or rats) would be treated with the compound and tumor growth monitored. Parameters assessed include body weight, tumor size, survival, and general health. For fatty acid metabolism studies, animals are administered the compound through dietary supplementation and metabolic parameters are measured. Blood and tissue samples are collected for biochemical analysis. Plant studies have been conducted to evaluate the compound's effects on seed germination and flowering. Control groups receiving vehicle alone are included for comparison. All procedures must comply with institutional animal care and use committee guidelines.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of 13(E)-Docosenoic acid reflect its nature as a long-chain monounsaturated fatty acid. It has a molecular weight of 338.57 and is a 22-carbon fatty acid. The compound is insoluble in water and appears as a white waxy solid. As a fatty acid, it would be absorbed through the gastrointestinal tract following emulsification and incorporated into lipoproteins for distribution. It is metabolized through beta-oxidation in the mitochondria. The compound's trans configuration may affect its metabolism compared to cis fatty acids. Its use in producing specialty polymers, lubricants, and surfactants indicates industrial applications. Complete pharmacokinetic profiling would require further systematic studies.
|
| Toxicity/Toxicokinetics |
The toxicity profile of 13(E)-Docosenoic acid has been evaluated in the context of its use as a research chemical and fatty acid. As a trans fatty acid, its safety profile may be similar to other trans fatty acids found in the diet. The compound is not approved for human therapeutic use and is intended for research purposes only. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications. The compound's plant physiological effects suggest it may have biological activity that should be carefully evaluated.
|
| References | |
| Additional Infomation |
Trans-brassic acid is an extremely long-chain fatty acid. It has been reported in Monascus purpureus, with relevant data available. Brassica acid is a monounsaturated, extremely long-chain fatty acid with a 22-carbon backbone. Its single/double bond is located at the 9th position of the methyl terminus, and it is in the trans configuration. See also: 13-docosaenoic acid (note moved here).
13(E)-Docosenoic acid (CAS# 506-33-2) is also known as Brassidic acid, trans-13-Docosenoic acid, and (13E)-13-Docosenoic acid. It has the molecular formula C22H42O2 and a molecular weight of 338.57. The compound is a monounsaturated omega-9 fatty acid. It appears as a white waxy solid, is insoluble in water, and is used in producing specialty polymers, lubricants, and surfactants. Its cis isomer is erucic acid. The compound has been shown to induce human liver cells to undergo specific changes and is capable of inhibiting synchronous fluorescence in vitro, indicating its potential as an anti-cancer drug. It also has plant physiological effects such as inducing seed germination and inhibiting flowering. The compound can react with various amines to synthesize amide compounds. |
| Molecular Formula |
C22H42O2
|
|---|---|
| Molecular Weight |
338.57
|
| Exact Mass |
338.318
|
| CAS # |
506-33-2
|
| PubChem CID |
5282772
|
| Appearance |
White to off-white solid powder
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
386.1±0.0 °C at 760 mmHg
|
| Melting Point |
61-62ºC
|
| Flash Point |
349.9±15.2 °C
|
| Vapour Pressure |
0.0±1.8 mmHg at 25°C
|
| Index of Refraction |
1.468
|
| LogP |
9.82
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
19
|
| Heavy Atom Count |
24
|
| Complexity |
284
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
|
| InChi Key |
DPUOLQHDNGRHBS-MDZDMXLPSA-N
|
| InChi Code |
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
|
| Chemical Name |
(E)-docos-13-enoic acid
|
| 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 (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
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 | 2.9536 mL | 14.7680 mL | 29.5360 mL | |
| 5 mM | 0.5907 mL | 2.9536 mL | 5.9072 mL | |
| 10 mM | 0.2954 mL | 1.4768 mL | 2.9536 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
