| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
4-Bromobenzoic acid-d4 does not have a biological target as it is an analytical standard. Its non-deuterated form, 4-bromobenzoic acid, is a halogenated benzoic acid that is used as a chemical intermediate and has been studied as a potential inhibitor of bacterial enzymes. It is not a pharmacologically active compound. The labeled compound is used as an internal standard for the quantification of 4-bromobenzoic acid in biological and environmental 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. 4-Bromobenzoic acid is a chemical intermediate that is not pharmacologically active. The labeled compound is used as an analytical standard for the quantification of 4-bromobenzoic acid, not for evaluating its own biological activity. |
| ln Vivo |
4-Bromobenzoic acid-d4 does not have in vivo biological activity and is not used for therapeutic purposes. 4-Bromobenzoic acid is used as a chemical intermediate. The labeled compound is used as an internal standard for the quantification of 4-bromobenzoic acid in biological and environmental samples.
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| Enzyme Assay |
In vitro assays for 4-bromobenzoic acid-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 4-bromobenzoic acid in biological samples (e.g., plasma, urine) or environmental samples. The compound is added to samples before extraction and analysis. 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 4-bromobenzoic acid-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 4-bromobenzoic acid-d4. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of 4-bromobenzoic acid in animal plasma or tissue samples.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-bromobenzoic acid-d4 are not characterized, as it is not a drug substance. 4-Bromobenzoic acid is metabolized and excreted. The labeled compound is used as an internal standard for analytical purposes.
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| Toxicity/Toxicokinetics |
4-Bromobenzoic acid-d4 may cause skin and eye irritation. 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 |
4-Bromobenzoic acid-d4 is a stable isotope-labeled internal standard used for the quantification of 4-bromobenzoic acid in biological and environmental samples. It is also known as benzoic-2,3,5,6-d4 acid, 4-bromo-. The compound is used in analytical method development, quality control, and metabolic studies.
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| Molecular Formula |
C7HD4BRO2
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|---|---|
| Molecular Weight |
205.04
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| Exact Mass |
203.972
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| CAS # |
787624-24-2
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| PubChem CID |
129627433
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
299.8±23.0 °C at 760 mmHg
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| Flash Point |
135.1±22.6 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.608
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| LogP |
2.86
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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 |
1
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| Heavy Atom Count |
10
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| Complexity |
128
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])Br)[2H]
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| InChi Key |
TUXYZHVUPGXXQG-RHQRLBAQSA-N
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| InChi Code |
InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D
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| Chemical Name |
4-bromo-2,3,5,6-tetradeuteriobenzoic acid
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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) |
DMSO: 125 mg/mL (609.64 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.14 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (10.14 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (10.14 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8771 mL | 24.3855 mL | 48.7710 mL | |
| 5 mM | 0.9754 mL | 4.8771 mL | 9.7542 mL | |
| 10 mM | 0.4877 mL | 2.4385 mL | 4.8771 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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