| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
1H-Benzotriazole-4,5,6,7-d4 does not have a specific biological target as it is an analytical standard. Its non-deuterated form, benzotriazole, is a heterocyclic compound used as a corrosion inhibitor and in various industrial applications. It is not a pharmacologically active compound. The labeled compound is used as an internal standard for the quantification of benzotriazole in environmental and biological samples.
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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].
The labeled compound does not possess in vitro biological activity. Benzotriazole is an industrial chemical that is not used in pharmacological studies. The labeled compound is used as an analytical standard for the quantification of benzotriazole in environmental and biological samples, not for evaluating its own biological activity. |
| ln Vivo |
1H-Benzotriazole-4,5,6,7-d4 does not have in vivo biological activity and is not used for therapeutic purposes. Its non-deuterated form, benzotriazole, is used as a corrosion inhibitor and in various industrial applications. The labeled compound is used as an internal standard for the quantification of benzotriazole in environmental and biological samples.
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| Enzyme Assay |
In vitro assays for 1H-benzotriazole-4,5,6,7-d4 focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for LC-MS or GC-MS analysis of benzotriazole in environmental samples (e.g., water, soil) or biological samples. The compound is added to samples before extraction and cleanup procedures. Quantification is performed by monitoring specific mass transitions for the labeled and unlabeled compounds.
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| Cell Assay |
Cell-based experiments are not performed with 1H-benzotriazole-4,5,6,7-d4, as it is an analytical standard. The compound is used exclusively in analytical chemistry applications.
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| Animal Protocol |
In vivo animal studies are not conducted with 1H-benzotriazole-4,5,6,7-d4. When used in toxicokinetic studies, the labeled compound serves as an internal standard for the quantification of benzotriazole in animal tissues or biological fluids.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1H-benzotriazole-4,5,6,7-d4 are not characterized, as it is not a drug substance. Benzotriazole is an industrial chemical that can be absorbed after exposure and excreted in urine. The labeled compound is used as an internal standard for biomonitoring studies.
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| Toxicity/Toxicokinetics |
Toxicological data for 1H-benzotriazole-4,5,6,7-d4 are not available. Benzotriazole can be toxic to aquatic organisms and may have endocrine-disrupting effects. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and safety glasses.
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| References | |
| Additional Infomation |
1H-Benzotriazole-4,5,6,7-d4 is a stable isotope-labeled internal standard used for the quantification of benzotriazole in environmental and biological samples. It is also known as 1H-benzo[d][1,2,3]triazole-4,5,6,7-d4. The compound is used in analytical method development, quality control, and environmental monitoring studies.
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| Molecular Formula |
C6HD4N3
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|---|---|
| Molecular Weight |
123.15
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| Exact Mass |
123.073
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| CAS # |
1185072-03-0
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| Related CAS # |
1H-Benzotriazole;95-14-7
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| PubChem CID |
136257763
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
359.2±11.0 °C at 760 mmHg
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| Flash Point |
185.7±12.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.715
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| LogP |
1.34
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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 |
0
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| Heavy Atom Count |
9
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| Complexity |
105
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C2C(=C1[2H])NN=N2)[2H])[2H]
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| InChi Key |
QRUDEWIWKLJBPS-RHQRLBAQSA-N
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| InChi Code |
InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)/i1D,2D,3D,4D
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| Chemical Name |
4,5,6,7-tetradeuterio-1H-benzotriazole
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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 | 8.1202 mL | 40.6009 mL | 81.2018 mL | |
| 5 mM | 1.6240 mL | 8.1202 mL | 16.2404 mL | |
| 10 mM | 0.8120 mL | 4.0601 mL | 8.1202 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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