| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
This compound does not have a specific biological target. It is a chemical derivative used for analytical detection. The labeled standard is used to measure the concentration of acetone, a biological volatile organic compound (VOC) that can be a marker for lipid metabolism, diabetes, or environmental exposure.
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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].
There is no specific in vitro biological activity for this compound. It is an analytical reference standard used to identify and quantify acetone in gaseous and liquid samples. It functions as an analytical tracer, co-eluting with the analyte (acetone-DNPH) and providing a distinct mass shift of +3 Da for mass spectrometry detection. |
| ln Vivo |
There is no in vivo activity for this compound, as it is a chemical derivative used in analytical chemistry. It is not administered to animals. The unlabeled derivative (Acetone DNPH) is used as a trapping agent for carbonyl compounds. The labeled standard is used in environmental monitoring, not in animal pharmacology.
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| Enzyme Assay |
As an analytical standard, Acetone 2,4-dinitrophenylhydrazone-d3 is not used in enzyme/receptor binding protocols. A typical analytical protocol involves preparing a standard solution of the compound in acetonitrile. It is then spiked into a sample of air collected on a DNPH-coated cartridge, eluted with solvent, and analyzed by LC-MS/MS.
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| Cell Assay |
There is no standard cellular protocol for this derivative. In a cell culture study, researchers might measure the production of acetone (a metabolite) by cells. The deuterated standard is not added to the cells, but rather to the culture medium during LC-MS/MS sample preparation to correct for matrix effects and quantify the acetone concentration.
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| Animal Protocol |
There is no standard in vivo protocol for this compound. In a human clinical study to monitor lipid metabolism, a subject breathes into a Tedlar bag. The air sample is passed through a DNPH cartridge to derivatize the acetone. The deuterated internal standard is added to the cartridge during extraction to accurately quantify the acetone concentration by LC-MS/MS.
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| ADME/Pharmacokinetics |
As an analytical standard, this compound is not used for PK studies itself. For in vivo analysis where it is used as a standard, it is typically formulated as a solution in acetonitrile at a specific concentration (e.g., 10-100 ug/mL). Stock solutions should be stored at -20degC to prevent degradation.
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| Toxicity/Toxicokinetics |
Toxicity is not a significant concern for the labeled standard at the trace concentrations used. The parent DNPH compound is a potential skin and respiratory sensitizer. Standard safety precautions for handling organic chemicals (gloves, fume hood) should be used.
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| References | |
| Additional Infomation |
Acetone 2,4-dinitrophenylhydrazone-d3 is a stable isotope-labeled internal standard (SIL-IS) for the quantitative analysis of acetone and other volatile organic compounds (VOCs). It is used to monitor human exposure to pollutants and in diagnostic breath analysis for conditions like diabetes and fat metabolism disorders.
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| Molecular Formula |
C9H7D3N4O4
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|---|---|
| Molecular Weight |
241.22
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| Exact Mass |
241.089
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| CAS # |
259824-57-2
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| PubChem CID |
121225489
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
370.3±52.0 °C at 760 mmHg
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| Melting Point |
123-125°C
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| Flash Point |
177.7±30.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.616
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| LogP |
3.03
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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 |
329
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1NN=C(C)C)[N+](=O)[O-])[2H])[N+](=O)[O-])[2H]
|
| InChi Key |
YGIXYAIGWMAGIB-QGZYMEECSA-N
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| InChi Code |
InChI=1S/C9H10N4O4/c1-6(2)10-11-8-4-3-7(12(14)15)5-9(8)13(16)17/h3-5,11H,1-2H3/i3D,4D,5D
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| Chemical Name |
2,3,5-trideuterio-4,6-dinitro-N-(propan-2-ylideneamino)aniline
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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 | 4.1456 mL | 20.7280 mL | 41.4559 mL | |
| 5 mM | 0.8291 mL | 4.1456 mL | 8.2912 mL | |
| 10 mM | 0.4146 mL | 2.0728 mL | 4.1456 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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