| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Acetolactate synthase (ALS), also known as acetohydroxyacid synthase (AHAS), an enzyme involved in the biosynthesis of branched-chain amino acids (valine, leucine, isoleucine) in plants. Terbuthylazine-d5 is the deuterium-labeled form of Terbuthylazine and inherits the same molecular target. ALS inhibition disrupts protein synthesis in susceptible plants, leading to growth inhibition and plant death. The deuterated form is used primarily as an analytical internal standard rather than for direct biological testing.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Terbuthylazine-d5 is intended for use as an internal standard for the quantification of terbuthylazine by GC- or LC-MS and does not directly exert pharmacological effects in vitro as a test compound for biological activity. The unlabeled parent compound Terbuthylazine is an acetolactate synthase (ALS) inhibitor, affecting branched-chain amino acid biosynthesis in plants. The deuterated version is designed for analytical applications, preserving the chemical and physical properties of the parent compound while providing a distinct mass shift for mass spectrometry detection. |
| ln Vivo |
Terbuthylazine-d5 is intended for use as an internal standard for the quantification of terbuthylazine by GC- or LC-MS and does not directly exert pharmacological effects in vivo as a test compound for biological activity. The unlabeled parent compound Terbuthylazine is a selective herbicide used for pre-emergence and post-emergence control of weeds in corn and other crops, as well as for vegetation management in forest plantations. The deuterated version is designed for analytical applications only and is not used for herbicidal applications.
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| Enzyme Assay |
Isotope dilution mass spectrometry (IDMS) sample preparation protocol: A known amount of Terbuthylazine-d5 internal standard is added to the sample (e.g., soil, water, plant extract, or food) prior to extraction. The sample is extracted with an appropriate solvent (e.g., acetonitrile, ethyl acetate, or QuEChERS extraction kit). The extract is purified by solid-phase extraction (SPE) or dispersive SPE (d-SPE). The final extract is analyzed by LC-MS/MS or GC-MS. Deuterated internal standard corrects for variability in extraction efficiency, matrix effects, and instrument response. The concentration of Terbuthylazine in the sample is calculated by comparing the peak area ratio of the analyte to the internal standard to a calibration curve. Terbuthylazine-d5 should be added at a concentration that yields a response similar to the expected analyte concentration.
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| Cell Assay |
For pesticide residue analysis, the validated method for Terbuthylazine quantification includes the following steps: Homogenize sample (e.g., 10 g of soil or 5 g of plant material). Add Terbuthylazine-d5 internal standard (typically 10-100 ng). Extract with 10-20 mL of acetonitrile containing 1% acetic acid. Add QuEChERS salts (MgSO4, NaCl, sodium citrate) and shake vigorously. Centrifuge (4,000×g, 5 minutes). Take an aliquot of the supernatant and perform d-SPE cleanup with primary secondary amine (PSA) and MgSO4. Filter and inject onto LC-MS/MS or GC-MS system. Quantify using isotope dilution calibration. The method is validated for accuracy, precision, linearity, LOD, and LOQ according to international guidelines (e.g., SANTE/11312/2021).
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| ADME/Pharmacokinetics |
Terbuthylazine-d5 (MW 234.74, formula C₉H11D₅ClN₅). The compound is a stable isotope-labeled analog of Terbuthylazine. Storage: Keep container tightly closed when not in use. Store in a cool, dry place. The compound is typically supplied as a high-purity analytical standard (>98% isotopic purity, >98% chemical purity). For analytical applications, stock solutions are prepared in appropriate solvents (e.g., acetonitrile or methanol) and stored at -20degC to maintain stability. Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for quantitative analysis of pesticides. The deuterated form has slightly different physicochemical properties than the unlabeled compound due to the kinetic isotope effect, but for most analytical purposes it behaves identically. Terbuthylazine-d5 is a controlled compound and should be handled according to regulatory requirements for pesticide reference standards.
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| Toxicity/Toxicokinetics |
Terbuthylazine-d5 is intended for use as an analytical internal standard and is not administered for therapeutic purposes. Toxicity studies are not typically performed for analytical reference standards. The unlabeled parent compound Terbuthylazine has low acute toxicity in mammals (oral LD₅0 > 2,000 mg/kg in rats). It is classified as a hazardous substance and appropriate safety precautions should be followed when handling the compound. The compound should be used only in well-ventilated areas with appropriate personal protective equipment. Environmental toxicity: Terbuthylazine is toxic to aquatic organisms and should not be released into the environment. Dispose of waste according to local regulations. Comprehensive toxicological data are available in pesticide safety data sheets (SDS) and regulatory documents. As with all deuterium-labeled compounds, the stable isotope label does not introduce additional toxicity beyond that of the parent compound.
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| References | |
| Additional Infomation |
Terbuthylazine-d5 is a research-use-only compound intended for analytical applications in pesticide residue analysis, environmental monitoring, and food safety testing. Stable isotope-labeled internal standards are increasingly used in mass spectrometry-based methods to correct for matrix effects and improve analytical accuracy. Terbuthylazine-d5 is available as a high-purity analytical standard (typically >98% chemical purity and >98% isotopic purity). The compound is supplied as a neat solid or as a certified solution in a suitable solvent (e.g., acetone or acetonitrile). It is intended for research and quality control applications only and is not approved for human therapeutic use. The compound is classified as a hazardous substance and should be handled in accordance with safety regulations for pesticide reference standards. Terbuthylazine-d5 is also used as an internal standard in environmental and food safety testing laboratories. It is particularly valuable for methods requiring compliance with regulatory limits for pesticide residues in food and drinking water, as IDMS methods using isotopically labeled internal standards offer the highest level of measurement accuracy and traceability to SI units.
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| Molecular Formula |
C9H11D5CLN5
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|---|---|
| Molecular Weight |
234.74
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| Exact Mass |
234.14
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| CAS # |
222986-60-9
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| Related CAS # |
Terbuthylazine;5915-41-3
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| PubChem CID |
102211220
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
373.1±25.0 °C at 760 mmHg
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| Flash Point |
179.4±23.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.594
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| LogP |
2.98
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
15
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| Complexity |
193
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)(C)C
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| InChi Key |
FZXISNSWEXTPMF-RPIBLTHZSA-N
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| InChi Code |
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)/i1D3,5D2
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| Chemical Name |
2-N-tert-butyl-6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
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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 | 4.2600 mL | 21.3002 mL | 42.6003 mL | |
| 5 mM | 0.8520 mL | 4.2600 mL | 8.5201 mL | |
| 10 mM | 0.4260 mL | 2.1300 mL | 4.2600 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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