| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Isoleukotoxins are known metabolites of linoleic acid in the human body. Thiocarbamates are typically absorbed through the skin, mucous membranes, respiratory tract, and digestive tract. They are rapidly excreted, primarily through exhaled air and urine. The metabolism of thiocarbamates in mammals follows two main pathways. One pathway involves sulfonation and binding to glutathione. The conjugated product is subsequently cleaved into cysteine derivatives, which are then metabolized into thiouric acid compounds. The second pathway involves the oxidation of sulfur to sulfoxides, followed by the re-oxidation of sulfoxides to sulfones, or hydroxylation into compounds that enter the carbon metabolism pool. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
Some thiocarbamates (such as EPTC, molinet, pemblatt, and cyclic esters) share a common mechanism of toxicity: inhibition of acetylcholinesterase. Acetylcholinesterase inhibitors suppress the activity of acetylcholinesterase. Because acetylcholinesterase plays a crucial role in nervous system function, chemicals that interfere with its activity are potent neurotoxins, causing excessive salivation and lacrimation even at low doses. High-dose exposure typically results in symptoms such as headache, salivation, nausea, vomiting, abdominal pain, and diarrhea. Acetylcholinesterase breaks down the neurotransmitter acetylcholine, which is released at the neuromuscular junction, causing muscle or organ relaxation. Inhibition of acetylcholinesterase leads to the accumulation and sustained action of acetylcholine, resulting in the continuous transmission of nerve impulses and the inability to stop muscle contractions. |
| Additional Infomation |
Vernolic acid is a monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid and 12,13-epoxy groups. It is a plant metabolite. Vernolic acid is a long-chain fatty acid, a monounsaturated fatty acid, an epoxy fatty acid, and an epoxyoctadecenoic acid. It is functionally related to octadecenoic acid. It is the conjugate acid of vernolic acid ester. Vernolic acid has been found in Homo sapiens and honeybees, and relevant data exist. Vernolic acid ester is a thiocarbamate compound used as a selective soil herbicide. It is toxic to germinating broadleaf and grass weeds. Vernolic acid ester is also used to control weeds in soybeans, peanuts, and sweet potatoes. Thiocarbamate compounds are primarily used as insecticides, herbicides, and fungicides. Other uses of thiocarbamates include their use as fungicides for industrial or other commercial purposes, and in household products. Some thiocarbamates are also used for vector control in public health. Thiocarbamates are mostly liquids or solids with low melting points.
|
| Molecular Formula |
C18H32O3
|
|---|---|
| Molecular Weight |
296.44
|
| Exact Mass |
296.235
|
| CAS # |
32381-42-3
|
| PubChem CID |
5281128
|
| Appearance |
Typically exists as solids at room temperature
|
| Melting Point |
30-31°
|
| LogP |
0
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
14
|
| Heavy Atom Count |
21
|
| Complexity |
299
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CCCCC[C@H]1[C@H](O1)C/C=C\\CCCCCCCC(=O)O
|
| InChi Key |
CCPPLLJZDQAOHD-BEBBCNLGSA-N
|
| InChi Code |
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1
|
| Chemical Name |
(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
|
| Synonyms |
12(R),13(S)-Epoxy-9(Z)-octadecenoic 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 | 3.3734 mL | 16.8668 mL | 33.7336 mL | |
| 5 mM | 0.6747 mL | 3.3734 mL | 6.7467 mL | |
| 10 mM | 0.3373 mL | 1.6867 mL | 3.3734 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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