| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Sulfamethoxazole-13C6 targets the same bacterial enzyme as unlabeled sulfamethoxazole: dihydropteroate synthase (DHPS). Sulfamethoxazole is a structural analog of para-aminobenzoic acid (PABA) and competes with PABA for binding to dihydropteroate synthetase, inhibiting the synthesis of dihydrofolic acid. This inhibition blocks bacterial folic acid synthesis, which is essential for bacterial growth and replication. As a bacteriostatic agent, sulfamethoxazole inhibits bacterial growth rather than killing bacteria directly. The 13C-labeled compound behaves identically to unlabeled sulfamethoxazole in biological systems but can be distinguished by mass spectrometry.
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| ln Vitro |
In vitro, sulfamethoxazole-13C6 exhibits the same antibacterial activity as unlabeled sulfamethoxazole. It inhibits the growth of susceptible bacteria by blocking folic acid synthesis. The compound's activity is typically assessed in bacterial culture using broth microdilution or agar diffusion methods. The minimum inhibitory concentration (MIC) for susceptible organisms ranges from 0.5 to 64 µg/mL depending on the bacterial species. Sulfamethoxazole is often combined with trimethoprim to enhance its antibacterial efficacy through synergistic inhibition of folate synthesis. The 13C-labeled compound is not typically used for activity assays but rather as an analytical standard.
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| ln Vivo |
In vivo, sulfamethoxazole-13C6 is used in pharmacokinetic and metabolic studies to track the disposition of sulfamethoxazole. It is administered to animals or humans in tracer amounts, and its concentration in plasma, urine, and tissues is measured by LC-MS/MS. The deuterated label allows for simultaneous measurement of the labeled and unlabeled compound, enabling detailed pharmacokinetic analysis. Its in vivo effects are minimal at tracer doses, as it is not intended to exert pharmacological activity. The compound is primarily used as an analytical tool rather than a therapeutic agent.
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| Enzyme Assay |
The in vitro assays for sulfamethoxazole-13C6 typically involve LC-MS/MS analysis of biological samples. The compound is added to samples (e.g., plasma, urine, tissue homogenates) as an internal standard at a known concentration. Samples are extracted using solid-phase extraction or liquid-liquid extraction and analyzed by LC-MS/MS. The compound is quantified by monitoring specific mass transitions for the 13C-labeled compound and the analyte of interest (sulfamethoxazole). Calibration curves are prepared using known concentrations of the unlabeled compound with a fixed concentration of the 13C-labeled internal standard. The method is validated for accuracy, precision, and linearity according to regulatory guidelines.
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| Cell Assay |
For in vitro cellular assays, sulfamethoxazole-13C6 may be used in cell culture studies to track the uptake and metabolism of sulfamethoxazole. Cells are treated with the compound, and the media and cell lysates are analyzed by LC-MS/MS for sulfamethoxazole and its metabolites. The 13C-labeled compound allows for precise quantification and metabolic tracing. However, specific protocols vary depending on the study objectives and the cell type used. The compound is typically used as an analytical standard rather than for studying cellular pharmacology.
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| Animal Protocol |
For in vivo studies, sulfamethoxazole-13C6 is typically administered to animals via intravenous or oral administration at tracer doses (e.g., 1-10 mg/kg). Blood samples are collected at various time points, and plasma concentrations of the 13C-labeled and unlabeled compound are measured by LC-MS/MS. Pharmacokinetic parameters (e.g., half-life, clearance, volume of distribution) are calculated from the concentration-time profiles. The compound may also be used in human studies as a tracer to study sulfamethoxazole pharmacokinetics. All animal procedures are conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of sulfamethoxazole-13C6 are expected to be identical to those of unlabeled sulfamethoxazole, as the isotope label does not significantly alter the compound's physical or chemical properties. Sulfamethoxazole is rapidly absorbed following oral administration, with a Tmax of 1-4 hours. It has a plasma half-life of approximately 10-12 hours in patients with normal renal function. The compound is metabolized in the liver, primarily by N-acetylation and glucuronidation, and is excreted in urine. The 13C-labeled compound is used as an internal standard to accurately measure the pharmacokinetics of sulfamethoxazole in biological samples.
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| Toxicity/Toxicokinetics |
Toxicology data for sulfamethoxazole-13C6 are limited, as the compound is used at tracer doses and is not intended to exert pharmacological activity. At the low doses used for analytical purposes, the compound is considered safe and non-toxic. Unlabeled sulfamethoxazole is generally well-tolerated but may cause adverse effects including gastrointestinal disturbances, hypersensitivity reactions, and hematological abnormalities. The 13C-labeled compound is not genotoxic or carcinogenic at tracer doses. The compound should be handled with appropriate laboratory safety precautions, as it is a research chemical and not approved for human therapeutic use. Comprehensive toxicology studies would not be required for its use as an analytical standard.
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| References |
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| Additional Infomation |
Sulfamethoxazole-13C6 is a stable isotope-labeled analog of sulfamethoxazole containing six carbon-13 atoms. It is used as an internal standard for the quantification of sulfamethoxazole in biological samples by LC-MS/MS. Sulfamethoxazole is a sulfonamide antibiotic that inhibits bacterial folic acid synthesis. The 13C-labeled compound is not approved for human therapeutic use and is intended for analytical research purposes only. It is available as a high-purity research reagent (≥95%) for laboratory use.
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| Molecular Formula |
C10H11N3O3S
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|---|---|
| Molecular Weight |
253.27764
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| Exact Mass |
259.072
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| CAS # |
1196157-90-0
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| Related CAS # |
Sulfamethoxazole;723-46-6;Sulfamethoxazole-d4;1020719-86-1;Sulfamethoxazole sodium;4563-84-2
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| PubChem CID |
71312389
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| Appearance |
White to off-white solid powder
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| LogP |
3.101
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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 |
N[13C]1[13CH]=[13CH][13C](S(NC2=NOC(C)=C2)(=O)=O)=[13CH][13CH]=1
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| InChi Key |
JLKIGFTWXXRPMT-AHBHZWPESA-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)/i2+1,3+1,4+1,5+1,8+1,9+1
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| Chemical Name |
4-amino-N-(5-methyl-1,2-oxazol-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 3.9482 mL | 19.7410 mL | 39.4820 mL | |
| 5 mM | 0.7896 mL | 3.9482 mL | 7.8964 mL | |
| 10 mM | 0.3948 mL | 1.9741 mL | 3.9482 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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