| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Not applicable. As a labeled herbicide, it has no therapeutic target. The unlabeled 2,4-D is a synthetic auxin (plant hormone) used as a selective herbicide. It acts on the auxin receptor TIR1/AFB (Transport Inhibitor Response 1/Auxin Signaling F-Box) in plants, leading to uncontrolled growth and ultimately plant death. The labeled version is used for environmental and agricultural studies.
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| ln Vitro |
Drug molecules have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantitation during the drug development process. Due to its potential to alter the pharmacokinetic and metabolic profiles of medications, deuteration has drawn attention[1].
The labeled compound is not used for its biological activity but as an internal standard. Unlabeled 2,4-D is a potent herbicide that kills broadleaf weeds by inducing uncontrolled cell division and growth in meristematic tissues. It is selective for dicots (broadleaf plants) over monocots (grasses). The 13C6-labeled version behaves identically to the unlabeled compound but is detected by its mass shift. |
| ln Vivo |
Unlabeled 2,4-D is used globally in agriculture for weed control. The labeled version is not applied for in vivo activity. Instead, it is used in in vivo experiments to quantify the concentration of 2,4-D and its metabolites in environmental (soil, water) and biological (plant, animal) samples by LC-MS/MS. The 13C6-labeled internal standard corrects for matrix effects and extraction efficiency.
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| Enzyme Assay |
2,4-D-13C6 is an internal standard. In a typical LC-MS/MS method for herbicide quantification, a fixed concentration of 2,4-D-13C6 (e.g., 100 ng/mL) is added to all samples, standards, and blanks. The sample (soil, water, or plant extract) is prepared by solid-phase extraction (SPE) or QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) method to clean up the matrix. The extracted sample is injected into an LC-MS/MS operating in multiple reaction monitoring (MRM) mode. The concentration of the native 2,4-D is determined based on the ratio of its peak area to the 13C6-labeled internal standard peak area.
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| Cell Assay |
Not applicable. For environmental toxicology, plant cells can be used. A cell suspension of a susceptible broadleaf plant (e.g., soybean or Arabidopsis) is treated with 2,4-D-13C6 (or unlabeled 2,4-D) at 1-100 uM for 0-72 hours. Cells are then harvested, and the auxin-responsive gene expression (e.g., GH3, SAUR) is measured by qPCR. The labeled compound allows for precise quantification of internalized herbicide levels within the plant cells.
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| Animal Protocol |
In a typical environmental toxicology or residue study, 2,4-D-13C6 is used as an internal standard, not as a test substance. For a study on the unlabeled compound, rats or mice are administered 2,4-D orally at doses ranging from 10-300 mg/kg. Blood, urine, and tissues (liver, kidney) are collected at various time points. The 13C6-labeled version is spiked into the samples as an internal standard before LC-MS analysis to accurately quantify the concentration of the unlabeled 2,4-D and its metabolites to determine toxicokinetic parameters.
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| ADME/Pharmacokinetics |
2,4-D-13C6 has the same PK properties as unlabeled 2,4-D. It is well-absorbed after oral administration and primarily excreted unchanged in the urine via renal organic anion transporters. Its half-life in humans is ~10-30 hours, but in rodents it is much shorter (2-4 hours). It has low binding to plasma proteins, leading to a large volume of distribution. It undergoes minimal metabolism, primarily to 2,4-dichlorophenol and conjugates. The labeled form is used as an internal standard to correct for variability in these processes during analysis.
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| Toxicity/Toxicokinetics |
2,4-D is an herbicide with low to moderate acute toxicity. The oral LD50 in rats is ~300-1000 mg/kg. At high doses, it can cause neurotoxicity (ataxia, muscle weakness), hepatotoxicity, and nephrotoxicity. It is classified as "moderately hazardous" by the WHO. The labeled form is chemically identical in toxicity. It is also an environmental contaminant and is toxic to aquatic plants and arthropods.
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| References | |
| Additional Infomation |
2,4-D-13C6 is a stable isotope-labeled analytical standard used for regulatory food safety testing and environmental monitoring. It is used to monitor the levels of 2,4-D in food products (e.g., cereals, fruits, vegetables) to ensure they are below the maximum residue limits (MRLs) set by government agencies (e.g., EPA, EFSA). The IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid-13C6. The molecular formula is ¹3C₆C2H₆Cl2O3, and it has a molecular weight of 226.99 g/mol.
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| Molecular Formula |
C213C6H6CL2O3
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|---|---|
| Molecular Weight |
226.99
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| Exact Mass |
225.99
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| CAS # |
150907-52-1
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| Related CAS # |
2,4-D;94-75-7
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| PubChem CID |
46781252
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
138?C
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| LogP |
2.456
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
186
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(CO[13C]1[13CH]=[13CH][13C](Cl)=[13CH][13C]=1Cl)=O
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| InChi Key |
OVSKIKFHRZPJSS-JTZKEMBVSA-N
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| InChi Code |
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,7+1
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| Chemical Name |
2-(2,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyacetic acid
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| Synonyms |
2,4-Dichlorophenoxyacetic acid-13C6; 2,4-D-13C6
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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 | 4.4055 mL | 22.0274 mL | 44.0548 mL | |
| 5 mM | 0.8811 mL | 4.4055 mL | 8.8110 mL | |
| 10 mM | 0.4405 mL | 2.2027 mL | 4.4055 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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