| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
This compound does not have a specific reported biological target. It is a synthetic intermediate and biochemical reagent. The parent 2-thiooxamic acid and its derivatives may act as enzyme inhibitors (e.g., of metalloproteases or urease) due to the thioamide functional group, but specific target information is not available for this ethyl ester derivative.
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|---|---|
| ln Vitro |
2-Thiooxamic acid ethyl ester exhibits no direct in vitro biological activity of its own. It is used as a reagent in the synthesis of potential anticancer agents. Some derivatives have shown activity against cancer cell lines such as chronic myeloid leukemia and breast cancer. The compound itself is a synthetic building block.
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| ln Vivo |
There is no specific in vivo activity reported for this compound. As a synthetic intermediate, it is not used as a therapeutic agent. However, 2-thiooxamic acid ethyl ester has been mentioned in the context of cancer research, such as in studies involving chronic myeloid leukemia and breast cancer, where it serves as a starting material or intermediate.
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| Enzyme Assay |
There is no specific enzyme/receptor binding protocol for this compound. As a chemical reagent, it is typically characterized by NMR, HPLC, and mass spectrometry. If used in enzyme inhibition studies, a general protocol would involve incubating the compound (1-100 uM) with the target enzyme in an appropriate buffer and measuring residual activity by a colorimetric or fluorometric assay.
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| Cell Assay |
This compound is not typically used in cell-based experiments. If used for preliminary screening, 2-Thiooxamic acid ethyl ester can be dissolved in DMSO (stock 50-100 mM) and diluted to 1-100 uM in cell culture medium. Cells (e.g., cancer cell lines) are treated for 24-72 hours, and viability is measured by MTT. However, this is not standard practice; it is a reagent for synthesis.
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| Animal Protocol |
There is no standard in vivo protocol for this compound. It is not administered to animals for pharmacological studies. For safety assessment or as part of the drug development process, animal studies would be performed with final drug candidates derived from this intermediate, not with the intermediate itself.
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| ADME/Pharmacokinetics |
PK properties are not applicable for this synthetic intermediate. It has low water solubility (logP approximately 1.2-1.5) but is soluble in organic solvents such as DMSO, ethanol, and acetonitrile. For storage, stock solutions in DMSO should be kept at -20degC and used within 6 months; at -80degC, they are stable for up to 12 months.
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| Toxicity/Toxicokinetics |
Toxicity of 2-Thiooxamic acid ethyl ester is not well characterized. As a thioamide, it may have moderate to low acute toxicity. It should be handled with care, avoiding skin contact and inhalation. Standard safety precautions for handling sulfur-containing organic compounds (gloves, goggles, fume hood) should be used. Not for human consumption.
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| Additional Infomation |
2-Thiooxamic acid ethyl ester is a versatile biochemical reagent and organic synthesis intermediate. The thioamide group (C(=S)-NH2) provides unique reactivity for the synthesis of heterocyclic compounds, including thiazoles and thiadiazoles, which are common scaffolds in medicinal chemistry. This compound can be used in the study of cancer and as a sulfonylation reagent in drug discovery.
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| Molecular Formula |
C4H7NO2S
|
|---|---|
| Molecular Weight |
133.17
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| Exact Mass |
133.019
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| CAS # |
16982-21-1
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| PubChem CID |
2733398
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
199.2±23.0 °C at 760 mmHg
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| Melting Point |
62-65 °C(lit.)
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| Flash Point |
74.2±22.6 °C
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| Vapour Pressure |
0.3±0.4 mmHg at 25°C
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| Index of Refraction |
1.534
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| LogP |
0.14
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
113
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S=C(C(=O)OC([H])([H])C([H])([H])[H])N([H])[H]
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| InChi Key |
YMBMCMOZIGSBOA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
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| Chemical Name |
ethyl 2-amino-2-sulfanylideneacetate
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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 | 7.5092 mL | 37.5460 mL | 75.0920 mL | |
| 5 mM | 1.5018 mL | 7.5092 mL | 15.0184 mL | |
| 10 mM | 0.7509 mL | 3.7546 mL | 7.5092 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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