| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl nitroacetate does not target a specific protein or enzyme for pharmacological intervention. Its utility is as a chemical reagent and synthetic intermediate in organic synthesis. The compound's highly activated α-methylene group enables it to participate in various reactions, including Michael additions, alkylations, and condensations. It is used as an intermediate in the preparation of unsubstituted amino acids.
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|---|---|
| ln Vitro |
The in vitro activity of Ethyl nitroacetate is its function as a versatile chemical reagent for organic synthesis. It has been used in the synthesis of γ-oxoacids via Michael addition reactions with α,β-unsaturated ketones, functionalization of the C4-position on pyrimidine and the C6-position on 2'-deoxyguanosine to produce novel nucleosides, facile synthesis of α,α-diisobutylglycine, and synthesis of DL-4,4-difluoroglutamic acid. It can also oxidize alcohols to carbonyl compounds in the presence of the Mitsunobu reagent.
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| ln Vivo |
No significant in vivo activity has been reported for Ethyl nitroacetate as a therapeutic agent. The compound is primarily utilized as a chemical reagent and synthetic intermediate rather than a pharmacologically active compound. It is not intended for therapeutic use in living organisms.
|
| Enzyme Assay |
In vitro assays for Ethyl nitroacetate are not typically performed in the context of enzyme or receptor binding. The compound is used in organic synthesis reactions where it serves as a precursor for the preparation of more complex molecules. Reaction monitoring is typically performed by analytical techniques such as TLC, HPLC, or GC.
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| Cell Assay |
For in vitro cellular experiments, Ethyl nitroacetate is not typically used in cell-based assays. The compound is primarily used as a chemical intermediate in organic synthesis and drug discovery research.
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| Animal Protocol |
In vivo animal experiments with Ethyl nitroacetate are not commonly performed, as the compound is primarily used as a chemical reagent rather than a therapeutic candidate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ethyl nitroacetate have not been characterized, as it is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 133.10 g/mol and is a liquid at room temperature. It should be stored away from bases and oxidizing agents in a cool, dry, and well-ventilated condition.
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| Toxicity/Toxicokinetics |
The compound has a molecular formula of C₄H₇NO₄. Toxicological data for Ethyl nitroacetate has not been systematically evaluated for therapeutic use. It is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
|
| Additional Infomation |
Ethyl nitroacetate is the parent cpd structure in the first source.
Ethyl nitroacetate is a primary nitro ester used as a versatile reagent in organic synthesis for Michael additions, alkylations, and condensations. It is a valuable building block for the synthesis of various pharmaceutical compounds and natural products. The compound has no clinical or therapeutic applications and has not received regulatory approval for any medical indication. |
| Molecular Formula |
C4H7NO4
|
|---|---|
| Molecular Weight |
133.10
|
| Exact Mass |
133.037
|
| CAS # |
626-35-7
|
| PubChem CID |
69379
|
| Appearance |
Colorless to light yellow liquid（Density：1.199 g/cm3）
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
208.6±0.0 °C at 760 mmHg
|
| Flash Point |
92.2±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.426
|
| LogP |
0.88
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
9
|
| Complexity |
116
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(C([H])([H])[N+](=O)[O-])=O)C([H])([H])C([H])([H])[H]
|
| InChi Key |
FTKASJMIPSSXBP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
|
| Chemical Name |
ethyl 2-nitroacetate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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 | 7.5131 mL | 37.5657 mL | 75.1315 mL | |
| 5 mM | 1.5026 mL | 7.5131 mL | 15.0263 mL | |
| 10 mM | 0.7513 mL | 3.7566 mL | 7.5131 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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