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| Other Sizes |
| Targets |
The 2-aminothiazole scaffold, to which ethyl 2-aminothiazole-5-carboxylate belongs, is a fundamental part of clinically applied anticancer drugs such as dasatinib and alpelisib. The primary targets of this compound are believed to be various molecular targets involved in cancer cell proliferation. 2-Aminothiazole derivatives have shown potent and selective nanomolar inhibitory activity against a wide range of human cancerous cell lines. The compound also interacts with targets involved in inflammatory and microbial processes. The biological activity is attributed to its ability to interact with various molecular targets within cells.
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| ln Vitro |
In vitro, ethyl 2-aminothiazole-5-carboxylate has demonstrated inhibition of cell proliferation in various cancerous cell lines. The compound interacts with cancer cell targets, leading to cell cycle arrest and apoptosis. It has also been shown to reduce inflammation in various models, making it a candidate for treating inflammatory diseases. The 2-aminothiazole scaffold has been associated with antimicrobial activity and antioxidant properties. The compound's activity is attributed to its ability to interact with various molecular targets. Cellular assays typically evaluate its antiproliferative, anti-inflammatory, or antimicrobial effects.
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| ln Vivo |
In vivo data for ethyl 2-aminothiazole-5-carboxylate as a standalone compound is limited, as it is primarily used as a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary applications. However, derivatives of the 2-aminothiazole scaffold have demonstrated therapeutic potential in various disease models. The compound's sensitivity to light and moisture suggests that these factors could influence its absorption, distribution, metabolism, and excretion properties if administered in vivo. The result of action is inhibition of cell proliferation in cancerous cell lines.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for ethyl 2-aminothiazole-5-carboxylate typically evaluate its activity against various molecular targets. The compound is soluble in common organic solvents and can be prepared as stock solutions in DMSO. A typical assay protocol involves incubating the compound with target enzymes or receptors (e.g., kinases, inflammatory mediators) in appropriate buffer systems. Binding affinity and inhibitory activity are assessed using standard biochemical techniques such as fluorescence polarization, surface plasmon resonance, or enzyme activity assays. IC₅₀ values are calculated from dose-response curves. The compound's activity against cancer cell targets can be evaluated using cell-free kinase assays.
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| Cell Assay |
Cellular assays for ethyl 2-aminothiazole-5-carboxylate typically involve evaluating its antiproliferative, anti-inflammatory, or antimicrobial effects in cultured cells. A standard protocol includes culturing appropriate cell lines (e.g., cancer cell lines such as HeLa, MCF-7, or A549) in growth medium at 37°C with 5% CO₂. Cells are seeded in multi-well plates and treated with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or SRB assays. Apoptosis and cell cycle analysis can be performed using flow cytometry. IC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for ethyl 2-aminothiazole-5-carboxylate derivatives typically use murine xenograft or disease models to evaluate therapeutic efficacy. A common protocol involves subcutaneous implantation of cancer cells into immunodeficient mice. Once tumors reach appropriate size, animals are randomized into treatment and control groups. Test compounds are administered via oral gavage, intraperitoneal injection, or intravenous injection at doses determined from preliminary studies. Tumor volume, body weight, and survival are monitored regularly. Endpoints include tumor growth inhibition, histopathological examination, and biomarker analysis. The compound's sensitivity to light and moisture requires careful handling and storage.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ethyl 2-aminothiazole-5-carboxylate is limited, as it is a research reagent rather than a pharmaceutical agent. The compound has a molecular weight of 172.21 g/mol and is a solid at room temperature with a melting point of 159-163°C. It is sensitive to light and moisture, suggesting that these factors could influence its absorption, distribution, metabolism, and excretion properties. The compound is stored under conditions that protect it from light and moisture. As a thiazole derivative, it may have moderate lipophilicity and potential for metabolic clearance. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for ethyl 2-aminothiazole-5-carboxylate is limited, as it is primarily used as a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored away from light and moisture. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Ethyl 2-aminothiazole-5-carboxylate (CAS 32955-21-8) is a biochemical reagent with the molecular formula C₆H₈N₂O₂S. It belongs to the 2-aminothiazole scaffold, which is associated with anticancer, antioxidant, antimicrobial, and anti-inflammatory activities. The compound serves as a building block in pharmaceutical development. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. The compound is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis.
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| Molecular Formula |
C6H8N2O2S
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|---|---|
| Molecular Weight |
172.20
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| Exact Mass |
158.014
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| CAS # |
32955-21-8
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| PubChem CID |
314628
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| Appearance |
Light brown to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
298.7±13.0 °C at 760 mmHg
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| Melting Point |
144-148
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| Flash Point |
134.5±19.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
0.36
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
154
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC(=O)C1=CN=C(S1)N
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| InChi Key |
VNZXERIGKZNEKB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
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| Chemical Name |
ethyl 2-amino-1,3-thiazole-5-carboxylate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 5.8072 mL | 29.0360 mL | 58.0720 mL | |
| 5 mM | 1.1614 mL | 5.8072 mL | 11.6144 mL | |
| 10 mM | 0.5807 mL | 2.9036 mL | 5.8072 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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