| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Sulfamethoxazole D4 targets the same enzymes as its unlabeled parent drug. Sulfamethoxazole is a sulfonamide antibiotic that inhibits bacterial folate metabolism by competing with 4-aminobenzoic acid (PABA) to act on dihydropteroate synthetase and dihydropteroate reductase.
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| ln Vitro |
Sulfamethoxazole D4 is primarily used as an analytical internal standard rather than for its pharmacological activity. Sulfamethoxazole is a sulfonamide bacteriostatic antibiotic that inhibits the growth of bacteria.
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| ln Vivo |
Sulfamethoxazole D4 is used in pharmacokinetic studies as an internal standard for the quantification of Sulfamethoxazole. Sulfamethoxazole is a sulfonamide antibiotic with widespread antibacterial activity. The deuterium-labeled compound can be co-administered with unlabeled drug to study absorption, distribution, metabolism, and excretion.
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| Enzyme Assay |
In vitro enzyme assays for Sulfamethoxazole D4 are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Sulfamethoxazole. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Sulfamethoxazole to Sulfamethoxazole D4 against the concentration of Sulfamethoxazole.
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| Cell Assay |
For in vitro cell-based assays, Sulfamethoxazole D4 can be used in studies investigating Sulfamethoxazole's antibacterial effects, though its primary use is as an analytical internal standard. Bacterial cultures are treated with the compound, and bacterial growth is monitored. However, due to its role as an internal standard, it is more frequently used in the analytical quantification of the parent drug.
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| Animal Protocol |
In vivo animal studies with Sulfamethoxazole D4 are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Sulfamethoxazole are analyzed by LC-MS/MS using Sulfamethoxazole D4 as the internal standard. Pharmacodynamic effects can be evaluated in infection models.
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| ADME/Pharmacokinetics |
Sulfamethoxazole D4 (CAS: 1020719-86-1) has a molecular weight of 257.30 g/mol and a molecular formula of C₁₀H₁₁N₃O₃S. Appearance: White to off-white solid powder. Storage: Powder -20°C 3 years, 4°C 2 years; In solvent -80°C 6 months, -20°C 1 month. Solubility: DMSO: ~50 mg/mL (~194.33 mM).
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| Toxicity/Toxicokinetics |
As a deuterium-labeled analog of a sulfonamide antibiotic, Sulfamethoxazole D4 is expected to have a similar toxicity profile to Sulfamethoxazole, though toxicity studies are typically not performed on the labeled compound. Sulfonamides are generally well-tolerated but can cause allergic reactions. The compound is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling.
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| References | |
| Additional Infomation |
Sulfamethoxazole D4 is a deuterium-labeled form of Sulfamethoxazole (Ro 4-2130), a sulfonamide bacteriostatic antibiotic. It is intended for use as an internal standard for the quantification of sulfamethoxazole by GC- or LC-MS. Sulfamethoxazole is a sulfonamide antibiotic with widespread antibacterial activity. The compound is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C10H11N3O3S
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|---|---|
| Molecular Weight |
257.302287340164
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| Exact Mass |
257.077
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| CAS # |
1020719-86-1
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| Related CAS # |
Sulfamethoxazole;723-46-6;Sulfamethoxazole-13C6;1196157-90-0
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| PubChem CID |
45040440
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
482.1±55.0 °C at 760 mmHg
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| Flash Point |
245.4±31.5 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.641
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| LogP |
0.89
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
346
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NOC(=C2)C)[2H]
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| InChi Key |
JLKIGFTWXXRPMT-QFFDRWTDSA-N
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| InChi Code |
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2D,3D,4D,5D
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| Chemical Name |
4-amino-2,3,5,6-tetradeuterio-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
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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 : ~50 mg/mL (~194.33 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.72 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 25.0 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: ≥ 2.5 mg/mL (9.72 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 25.0 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: ≥ 2.5 mg/mL (9.72 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 | 3.8865 mL | 19.4326 mL | 38.8651 mL | |
| 5 mM | 0.7773 mL | 3.8865 mL | 7.7730 mL | |
| 10 mM | 0.3887 mL | 1.9433 mL | 3.8865 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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