| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
As a synthetic intermediate, 4-Thiazolecarboxylic acid does not have a defined primary biological target. Its utility lies in its role as a building block for the synthesis of more complex molecules that may possess biological activity. Thiazole-containing compounds are known to interact with a variety of biological targets, including enzymes and receptors, depending on their specific structures. The compound itself is not intended to exert pharmacological effects and is used as a chemical reagent rather than as a drug substance.
|
|---|---|
| ln Vitro |
Specific in vitro activity data for 4-Thiazolecarboxylic acid as a standalone compound are not documented in the literature, as it is primarily used as a synthetic intermediate. Its biological activity, if any, would be determined by the final molecules into which it is incorporated. The thiazole ring is a common pharmacophore found in numerous drugs and bioactive compounds, suggesting that derivatives of this compound may exhibit various activities. However, the parent acid itself is not characterized for direct biological effects.
|
| ln Vivo |
4-Thiazolecarboxylic acid is not used for in vivo pharmacological activity assessment as a standalone compound. Its primary application is as a chemical intermediate in organic synthesis. The compound is not intended to be administered to animals for pharmacological studies. Its derivatives, however, may be evaluated in vivo depending on their specific biological targets and therapeutic applications. The compound is strictly a research reagent for chemical synthesis.
|
| Enzyme Assay |
As a chemical intermediate, 4-Thiazolecarboxylic acid is not typically used in enzyme/receptor binding assays. Its role is in the synthesis of compounds that may be evaluated in such assays. When used in research, it serves as a starting material for the preparation of thiazole-containing derivatives that can be tested for binding affinity to various biological targets. Standard synthetic chemistry protocols are employed for its use, rather than biochemical assay procedures.
|
| Cell Assay |
4-Thiazolecarboxylic acid is not used in cell-based assays as a test compound. Its primary application is as a synthetic intermediate for the preparation of more complex molecules. The compound's derivatives, which contain the thiazole moiety, may be evaluated in cell-based assays for various biological activities, including antimicrobial, anticancer, or anti-inflammatory effects. However, the parent acid itself is not characterized for direct cellular effects.
|
| Animal Protocol |
4-Thiazolecarboxylic acid is not used in animal studies as a pharmacological agent. Its primary application is as a chemical intermediate in organic synthesis. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives, which are synthesized from this building block, may be evaluated in animal models depending on their therapeutic targets. The compound is strictly a research reagent for chemical synthesis.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for 4-Thiazolecarboxylic acid are not documented in the literature, as it is not used as a drug substance. The compound has a molecular weight of 129.14 g/mol and is insoluble in water. These properties suggest that it would have limited oral bioavailability if administered systemically. However, its primary use is as a synthetic intermediate, and its pharmacokinetic properties are not relevant to its intended application. The compound is typically stored under standard laboratory conditions.
|
| Toxicity/Toxicokinetics |
4-Thiazolecarboxylic acid is intended for research use only and is not approved for human therapeutic applications. As a chemical intermediate, comprehensive toxicological data are not available in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
|
| Additional Infomation |
4-Thiazolecarboxylic acid (CAS#: 3973-08-8) has a molecular formula of C₄H₃NO₂S and a molecular weight of 129.14 g/mol. It is also known as thiazole-4-carboxylic acid and 1,3-thiazole-4-carboxylic acid. The compound appears as a colorless solid and is insoluble in water. It is a useful building block in organic synthesis and is classified as a biochemical reagent for research applications. This compound is not a drug and has not undergone clinical trials.
|
| Molecular Formula |
C4H3NO2S
|
|---|---|
| Molecular Weight |
129.14
|
| Exact Mass |
128.988
|
| CAS # |
3973-08-8
|
| PubChem CID |
304271
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
319.2±15.0 °C at 760 mmHg
|
| Melting Point |
195-199 °C(lit.)
|
| Flash Point |
146.9±20.4 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.618
|
| LogP |
1.06
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
8
|
| Complexity |
106
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=C(N=CS1)C(=O)O
|
| InChi Key |
HMVYYTRDXNKRBQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
|
| Chemical Name |
1,3-thiazole-4-carboxylic acid
|
| 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
|
|---|---|
| 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 | 7.7435 mL | 38.7177 mL | 77.4353 mL | |
| 5 mM | 1.5487 mL | 7.7435 mL | 15.4871 mL | |
| 10 mM | 0.7744 mL | 3.8718 mL | 7.7435 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
