| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The unlabeled parent drug, Nitrofurantoin, targets bacterial nitroreductases, which convert the drug into reactive intermediates that damage bacterial DNA, ribosomal proteins, and other macromolecules, leading to cell death. It is active against both Gram-positive and Gram-negative bacteria causing urinary tract infections (UTIs), including cystitis and kidney infections.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers that influence measurement during the drug development process. It's possible that the pharmacokinetics and functional range of medications contribute to the concern over mutagenesis [1].
The labeled compound Nitrofurantoin-13C3 is expected to exhibit the same antibacterial activity as the unlabeled parent compound, as the 13C label does not affect the chemical structure or biological mechanism. However, it is used exclusively as an internal standard for analytical quantification and is not employed in activity assays. |
| ln Vivo |
The parent drug Nitrofurantoin is an orally bioavailable antibiotic. The labeled analog is used in in vivo studies only as an internal standard for the quantification of the parent drug in plasma, urine, and tissue samples collected from animals or humans dosed with unlabeled Nitrofurantoin to assess its pharmacokinetic parameters.
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| Enzyme Assay |
As an analytical standard, Nitrofurantoin-13C3 is not used in enzyme/receptor binding assays. A typical LC-MS/MS protocol involves preparing a solution of the labeled standard in a suitable solvent (e.g., methanol or acetonitrile), spiking it into calibration standards and quality control samples at a fixed concentration (e.g., 10-100 ng/mL), and monitoring the mass transitions for both labeled and unlabeled species.
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| Cell Assay |
This compound is not used in cell-based assays. In cell culture studies, it would serve as an internal standard for quantifying unlabeled nitrofurantoin uptake or metabolism in bacterial or mammalian cells. The labeled standard is added to cell lysates or supernatants prior to extraction and LC-MS/MS analysis to correct for matrix effects.
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| Animal Protocol |
There is no direct in vivo protocol for the labeled standard. In PK studies, animals are administered unlabeled nitrofurantoin (oral or IV), blood and urine samples are collected over time, and the 13C-labeled internal standard is added during sample processing to enable accurate quantification of the parent drug by LC-MS/MS for PK parameter determination (Cmax, Tmax, AUC, t1/2).
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| ADME/Pharmacokinetics |
PK properties of the parent drug: Nitrofurantoin has an oral bioavailability of 40-50%, a half-life of approximately 1 hour, and is rapidly eliminated via both renal excretion and metabolism. The labeled standard is formulated in organic solvents (e.g., DMSO, methanol, or acetonitrile) for analytical use only.
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| Toxicity/Toxicokinetics |
The toxicity of Nitrofurantoin-13C3 is expected to be similar to the unlabeled drug, which can cause gastrointestinal disturbances, pulmonary reactions, and hepatotoxicity at high doses. However, at the trace levels used as an analytical internal standard, the risk is negligible. Standard laboratory safety protocols apply.
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| References | |
| Additional Infomation |
Nitrofurantoin-13C3 is a useful tool for bioanalysis, enabling precise and accurate quantification of nitrofurantoin in biological matrices. The parent antibiotic is a prooxidant that is cytotoxic due to the generation of intracellular H2O2 and has low resistance potential, being rapidly metabolized by mammals. This product is for research use only.
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| Molecular Formula |
C513C3H6N4O5
|
|---|---|
| Molecular Weight |
241.14
|
| Exact Mass |
241.044
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| CAS # |
1217226-46-4
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| Related CAS # |
Nitrofurantoin;67-20-9;Nitrofurantoin sodium;54-87-5
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| PubChem CID |
46782485
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
0.81
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
390
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
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| InChi Key |
NXFQHRVNIOXGAQ-PZGYLZBDSA-N
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| InChi Code |
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+/i4+1,6+1,8+1
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| Chemical Name |
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-(2,4,5-13C3)1,3-diazolidine-2,4-dione
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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 | 4.1470 mL | 20.7348 mL | 41.4697 mL | |
| 5 mM | 0.8294 mL | 4.1470 mL | 8.2939 mL | |
| 10 mM | 0.4147 mL | 2.0735 mL | 4.1470 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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