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| Other Sizes |
| Targets |
The primary target of N4-acetylsulfamethoxazole is not directly therapeutic; it is a metabolite of sulfamethoxazole. Sulfamethoxazole is a sulfonamide antibiotic that inhibits bacterial dihydropteroate synthase. N4-Acetylsulfamethoxazole is the acetylated form of the drug. The compound is used as a reference standard for the determination of N4-acetylsulfamethoxazole in biological fluids.
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| ln Vitro |
In vitro activity of N4-acetylsulfamethoxazole is not typically studied as a primary endpoint; the compound is used as an analytical reference standard. Sulfamethoxazole, the parent compound, has well-characterized antibacterial activity. N4-Acetylsulfamethoxazole serves as a reference standard for quantifying sulfamethoxazole metabolites in biological samples.
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| ln Vivo |
In vivo studies have shown that N4-acetylsulfamethoxazole is the major metabolite of sulfamethoxazole. The compound is used in pharmacokinetic studies to measure sulfamethoxazole metabolism. N4-Acetylsulfamethoxazole is a biomarker of sulfamethoxazole exposure.
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| Enzyme Assay |
For analytical method development, N4-acetylsulfamethoxazole is used as a reference standard for HPLC or LC-MS/MS quantification of sulfamethoxazole and its metabolites in plasma, serum, or other biological matrices. Standard protocols for bioanalytical method validation are followed according to regulatory guidelines.
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| Cell Assay |
N4-Acetylsulfamethoxazole is used in bioanalytical laboratories rather than in cell-based studies. For cell-based studies of antibacterial activity, sulfamethoxazole is used. Standard protocols for antibacterial activity screening involve culturing bacteria and treating with sulfamethoxazole.
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| Animal Protocol |
In vivo animal studies for N4-acetylsulfamethoxazole are typically conducted in the context of sulfamethoxazole pharmacokinetic studies. The compound is used as an analytical standard for measuring sulfamethoxazole metabolism in animal samples. Standard protocols for animal pharmacokinetic studies can be adapted.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Acetylsulfamethoxazole is a known metabolite of sulfamethoxazole in the human body. Pharmacokinetic properties of N4-acetylsulfamethoxazole have been characterized. It is a major metabolite of sulfamethoxazole. The compound has a molecular weight of 295.32 g/mol. Specific PK parameters such as half-life and formation rate have been reported in the literature. |
| Toxicity/Toxicokinetics |
N4-Acetylsulfamethoxazole is a metabolite of sulfamethoxazole. Sulfamethoxazole has a well-characterized safety profile. The acetylated metabolite is used as a reference standard. Standard toxicology data are available for sulfamethoxazole.
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| References |
[1]. https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsulfamethoxazole
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| Additional Infomation |
N-acetylsulfamethoxazole is a sulfonamide compound with a 4-acetaminophenyl atom attached to its sulfur atom and a 1,2-oxazol-3-yl atom attached to its nitrogen atom. It is both a metabolite of marine xenobiotics and a drug metabolite. It belongs to the isoxazole and sulfonamide classes and is functionally related to sulfamethoxazole and sulfonamides.
N4-Acetylsulfamethoxazole is a reference standard used in analytical chemistry for the quantification of sulfamethoxazole and its metabolites in biological samples. It is the N4-acetylated metabolite of the sulfonamide antibiotic sulfamethoxazole. The compound is also known as Sulfamethoxazole - Impurity A. N4-Acetylsulfamethoxazole is not a therapeutic agent and is not approved for clinical use. |
| Molecular Formula |
C12H13N3O4S
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|---|---|
| Molecular Weight |
295.31
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| Exact Mass |
295.063
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| CAS # |
21312-10-7
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| Related CAS # |
N4-Acetylsulfamethoxazole-d4;1215530-54-3
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| PubChem CID |
65280
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.448g/cm3
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| Melting Point |
222ºC dec.
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| Index of Refraction |
1.622
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| LogP |
2.969
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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 |
4
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| Heavy Atom Count |
20
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| Complexity |
440
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(NS(=O)(C2=CC=C(NC(C)=O)C=C2)=O)=NO1
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| InChi Key |
GXPIUNZCALHVBA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
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| Chemical Name |
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
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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 | 3.3863 mL | 16.9314 mL | 33.8627 mL | |
| 5 mM | 0.6773 mL | 3.3863 mL | 6.7725 mL | |
| 10 mM | 0.3386 mL | 1.6931 mL | 3.3863 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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