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| Targets |
Tempone-15N,d16 does not have a specific biological target. It is a stable isotope-labeled nitroxide spin probe used in EPR spectroscopy and imaging. Its primary function is as a contrast agent for metabolic activity and hypoxic sensitivity in magnetic resonance techniques. The compound is not intended to interact with biological targets in a pharmacologically relevant manner.
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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].
Tempone-15N,d16 is not evaluated for traditional in vitro biological activity. Its "activity" is as a spin probe for EPR spectroscopy and imaging. It is used as a contrast agent for metabolic activity and hypoxic sensitivity. No pharmacological in vitro activity is associated with this compound. |
| ln Vivo |
Tempone-15N,d16 is used as a contrast agent for metabolic activity and hypoxic sensitivity in electron spin resonance spectroscopy, magnetic resonance imaging, and dynamic nuclear polarization. Its primary applications are in imaging and spectroscopy, not as a therapeutic agent. The compound is not administered for therapeutic purposes.
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| Enzyme Assay |
Tempone-15N,d16 is used as a spin probe in EPR spectroscopy. Its performance is assessed by its ability to provide accurate and sensitive measurements of metabolic activity and oxygen levels. The compound's isotopic labeling enhances its utility in these analytical applications.
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| Cell Assay |
Tempone-15N,d16 is not used in standard cell culture for pharmacological studies. It is a chemical reagent used in EPR spectroscopy and imaging. Its isotopic labeling allows for precise measurement and tracking in various analytical applications. The compound itself is not added to cell culture media for biological effect.
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| Animal Protocol |
Tempone-15N,d16 is used in imaging and spectroscopy studies involving animals. It is administered to animals as a contrast agent for metabolic activity and hypoxic sensitivity in magnetic resonance imaging and dynamic nuclear polarization. The compound is used to study physiological processes, not as a therapeutic agent.
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| ADME/Pharmacokinetics |
Tempone-15N,d16 has a molecular weight of 187.32 g/mol and a molecular formula of 15NC9D16O2. It is a stable isotope-labeled nitroxide spin probe. The compound is typically stored at room temperature. It is soluble in water and organic solvents. Tempone is a stable water-soluble nitro radical.
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| Toxicity/Toxicokinetics |
Toxicological data for Tempone-15N,d16 are not extensively detailed, as it is a research compound. It is not intended for human or veterinary use. Standard laboratory safety precautions, including the use of personal protective equipment (PPE), should be followed when handling the compound.
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| References | |
| Additional Infomation |
4-O-TEMPO belongs to the aminooxyacyl group and is a compound of TEMPO with an oxo group at the 4-position. It can be used as a free radical scavenger. It is both an aminooxyacyl compound and a piperidinone compound. Its function is related to TEMPO. Cyclic N-oxide free radicals can be used as spin labeling and radiosensitizers.
Tempone-15N,d16 (4-Oxo-Tempo-15N,d16) is a stable isotope-labeled nitroxide spin probe used in electron paramagnetic resonance (EPR) spectroscopy and imaging. Tempone (4-Oxo-Tempo) is a stable water-soluble nitro radical widely used as a contrast agent for metabolic activity and hypoxic sensitivity in electron spin resonance spectroscopy, magnetic resonance imaging, and dynamic nuclear polarization. It is not approved for therapeutic use. |
| Molecular Formula |
15NC9D16O2
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|---|---|
| Molecular Weight |
187.32
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| Exact Mass |
187.216
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| CAS # |
80404-14-4
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| PubChem CID |
520789
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| Appearance |
Light yellow to yellow solid powder
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| Melting Point |
35ºC(lit.)
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| LogP |
1.491
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
189
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1(C(=O)C(C([15N](C1(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])[2H]
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| InChi Key |
WSGDRFHJFJRSFY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
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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 | 5.3385 mL | 26.6923 mL | 53.3846 mL | |
| 5 mM | 1.0677 mL | 5.3385 mL | 10.6769 mL | |
| 10 mM | 0.5338 mL | 2.6692 mL | 5.3385 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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