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| Targets |
2-Amino-5-methylthiazole is a nonsteroidal anti-inflammatory drug (NSAID) that inhibits the enzyme cyclooxygenase (COX). It has been shown to inhibit the activity of both COX-1 and COX-2 in vitro. As a metabolite of tenoxicam and meloxicam, its targets are consistent with these parent drugs, primarily involving the COX enzymes in the prostaglandin synthesis pathway. The compound is also used in DNA-interaction studies via the formation of metal complexes that bind competitively to DNA.
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| ln Vitro |
In vitro, 2-amino-5-methylthiazole has been studied for its biological activity against various cancer cell lines. It is used as a biochemical reagent for life science research. It may be used in the preparation of mixed-ligand dien-Cu(II) complexes and a new series of Schiff base coordination compounds, which have potential anticancer and antibacterial activities. The compound's diverse biological activities, including antimicrobial and anticancer properties, have been explored in medicinal chemistry.
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| ln Vivo |
In vivo, 2-amino-5-methylthiazole is a major metabolite of the NSAIDs tenoxicam and meloxicam, suggesting it is formed through metabolic pathways. However, its own in vivo pharmacological activity as a standalone compound is not well-documented. Studies on its derivatives indicate potential for anticancer and antibacterial activities. The compound is primarily used as a research reagent and analytical standard rather than as a therapeutic agent.
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| Enzyme Assay |
In vitro enzyme assays for 2-amino-5-methylthiazole typically evaluate its COX-1 and COX-2 inhibitory activity. A standard protocol involves incubating the compound with purified COX enzymes in a suitable buffer system containing arachidonic acid as a substrate. The compound is dissolved in DMSO and diluted to working concentrations. Enzyme activity is measured by quantifying prostaglandin production using ELISA or radioimmunoassay. IC₅₀ values are calculated from dose-response curves. The compound can also be used in DNA-binding studies via metal complexes.
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| Cell Assay |
Cellular assays for 2-amino-5-methylthiazole typically evaluate its antiproliferative activity against cancer cell lines. A standard protocol involves culturing cancer cell lines in appropriate media at 37°C with 5% CO₂. Cells are seeded in multi-well plates and treated with varying concentrations of the compound or its derivatives (e.g., 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 2-amino-5-methylthiazole are not standard, as it is primarily a metabolite and research reagent rather than a therapeutic candidate. Any in vivo studies would typically be conducted on the parent NSAIDs (tenoxicam and meloxicam) or on novel compounds synthesized from this building block. Such studies would evaluate efficacy in models of inflammation or cancer, pharmacokinetics, and safety. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-amino-5-methylthiazole is limited, as it is primarily a metabolite and research reagent. The compound has a molecular weight of 114.17 g/mol and is a solid at room temperature with a melting point of 93-98°C. It is stored as a powder at room temperature. As a metabolite of tenoxicam and meloxicam, its pharmacokinetics would be related to the metabolism of these parent drugs. The compound is soluble in organic solvents and has moderate lipophilicity.
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| Toxicity/Toxicokinetics |
2-Amino-5-methylthiazole is classified as a hazardous substance with signal word "Warning". Hazard classifications include Acute Tox. 4 Oral, Aquatic Acute 1, Aquatic Chronic 1, and STOT RE 2. It is a combustible solid (Storage Class 11) with a WGK of 3. Standard safety precautions include handling with appropriate personal protective equipment (dust mask, eyeshields, gloves) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials.
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| Additional Infomation |
W191G cavity bound to E. coli cytochrome c peroxidase
2-Amino-5-methylthiazole (CAS 7305-71-7) is a heterocyclic building block with the molecular formula C₄H₆N₂S. It is a major alkaline metabolite of the NSAIDs tenoxicam and meloxicam. The compound has been studied for its diverse biological activities, including antioxidant, anti-inflammatory, antimicrobial, and anticancer properties. It is classified as a research-use-only compound and is available from multiple commercial suppliers. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. |
| Molecular Formula |
C4H6N2S
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|---|---|
| Molecular Weight |
114.17
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| Exact Mass |
114.025
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| CAS # |
7305-71-7
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| PubChem CID |
351770
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
232.5±9.0 °C at 760 mmHg
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| Melting Point |
93-98 °C(lit.)
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| Flash Point |
94.4±18.7 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
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| Index of Refraction |
1.618
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| LogP |
0.84
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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 |
0
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| Heavy Atom Count |
7
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| Complexity |
66.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CN=C(S1)N
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| InChi Key |
GUABFMPMKJGSBQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
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| Chemical Name |
5-methyl-1,3-thiazol-2-amine
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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 | 8.7589 mL | 43.7943 mL | 87.5887 mL | |
| 5 mM | 1.7518 mL | 8.7589 mL | 17.5177 mL | |
| 10 mM | 0.8759 mL | 4.3794 mL | 8.7589 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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