| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
This compound does not target a specific biological receptor or enzyme. It is a chemical derivative used in analytical chemistry, specifically for the detection and quantification of formaldehyde via derivatization with 2,4-dinitrophenylhydrazine (DNPH). The deuterium label provides a +3 Da mass shift for mass spectrometry-based quantitation.
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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].
In cell-free analytical assays, Formaldehyde 2,4-dinitrophenylhydrazone-d3 exhibits no biological or enzymatic activity. Its performance is assessed by its ability to co-elute with the analyte, provide a distinct mass shift, and yield consistent peak area ratios across a defined concentration range in LC-MS/MS analysis. |
| ln Vivo |
There is no in vivo activity for this compound; it is an analytical standard used exclusively for ex vivo quantification of formaldehyde. It is not administered to live animals. Its utility is in the sample preparation workflow for environmental and biological monitoring studies.
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| Enzyme Assay |
This compound is not used in enzyme/receptor binding studies. A typical analytical protocol involves adding the deuterated standard to a sample containing formaldehyde, followed by derivatization with DNPH under acidic conditions. The resulting hydrazone derivatives are extracted into an organic solvent and analyzed by LC-MS/MS, monitoring the labeled and unlabeled transitions.
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| Cell Assay |
There is no cellular assay for this compound. In cell culture applications, it would be employed as an internal standard when quantifying formaldehyde levels in cell lysates or culture media. Cells are lysed or media collected, the standard is spiked in, and the sample is derivatized with DNPH prior to instrumental analysis.
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| Animal Protocol |
There is no in vivo protocol for this standard. For toxicology studies involving formaldehyde exposure, animals are dosed with unlabeled formaldehyde, and the labeled standard is added to collected biological fluids (e.g., blood, urine) to quantify formaldehyde content by LC-MS/MS, enabling the determination of systemic exposure levels.
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| ADME/Pharmacokinetics |
This compound is not administered in vivo; therefore, PK properties are not applicable. For analytical use, it is typically supplied as a solution in acetonitrile (100-1000 ug/mL) and stored at -20degC. Formulation is for in vitro use only, as a spiking solution for sample preparation.
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| Toxicity/Toxicokinetics |
The acute toxicity of Formaldehyde 2,4-dinitrophenylhydrazone-d3 is low at typical analytical concentrations (ug/mL). As a nitrophenyl derivative, it should be handled with care, avoiding skin contact and inhalation. The parent hydrazone is a known potential allergen. Standard laboratory safety precautions apply.
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| References | |
| Additional Infomation |
Formaldehyde 2,4-dinitrophenylhydrazone-d3 is a labeled analogue of formaldehyde 2,4-dinitrophenylhydrazone, a derivative used to monitor aliphatic aldehydes in mainstream cigarette smoke. It is synthesized through the condensation of deuterated formaldehyde with 2,4-dinitrophenylhydrazine, resulting in a molecule where three aromatic hydrogens are replaced by deuterium, typically with a purity of 98 atom % D.
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| Molecular Formula |
C7H3D3N4O4
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|---|---|
| Molecular Weight |
213.17
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| Exact Mass |
213.057
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| CAS # |
259824-50-5
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| PubChem CID |
122236693
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
357.8±52.0 °C at 760 mmHg
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| Flash Point |
170.2±30.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.648
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| LogP |
1.22
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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 |
15
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| Complexity |
271
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=CC(=C(C(=C1[N+](=O)[O-])[2H])[N+](=O)[O-])N([2H])N=C
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| InChi Key |
UEQLSLWCHGLSML-COQLVEBOSA-N
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| InChi Code |
InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2/i2D,4D/hD
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| Chemical Name |
N,3,5-trideuterio-N-(methylideneamino)-2,4-dinitroaniline
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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 | 4.6911 mL | 23.4555 mL | 46.9109 mL | |
| 5 mM | 0.9382 mL | 4.6911 mL | 9.3822 mL | |
| 10 mM | 0.4691 mL | 2.3455 mL | 4.6911 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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