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| Targets |
3-Thiopheneacetic acid is a synthetic intermediate and reagent rather than a direct pharmacological agent. As a building block, it does not have specific biological receptors as its primary targets. The thiophene scaffold is a privileged structure in medicinal chemistry, found in many drugs and bioactive compounds. The compound's carboxylic acid group allows for esterification and amidation reactions. It is used in the design of mediated enzymatic fuel cells and in the synthesis of gold nanoparticles capped with 3-thiopheneacetic acid.
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| ln Vitro |
In vitro, 3-thiopheneacetic acid is used as a biochemical reagent and organic compound for biomedical research. It is a reagent for the design of mediated enzymatic fuel cells to generate electrical energy. It is used in the synthesis of gold nanoparticles, where it serves as a capping agent. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in materials science, energy research, and chemical synthesis.
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| ln Vivo |
In vivo data for 3-thiopheneacetic acid is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Its primary applications are in materials science, energy research, and chemical synthesis. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic candidate.
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| Enzyme Assay |
In vitro assays for 3-thiopheneacetic acid typically evaluate its use in nanoparticle synthesis or enzymatic fuel cells. A standard protocol for gold nanoparticle synthesis involves reducing gold salts (e.g., HAuCl₄) in the presence of 3-thiopheneacetic acid as a capping agent. The nanoparticles are characterized by UV-Vis spectroscopy, TEM, and DLS. For enzymatic fuel cell applications, the compound is used as a mediator or electrode modifier. Electrochemical characterization is performed using cyclic voltammetry or chronoamperometry. The compound's ability to facilitate electron transfer is evaluated.
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| Cell Assay |
Cellular assays for 3-thiopheneacetic acid are not standard, as the compound is primarily used in materials science and energy research rather than as a cell-modulating agent. The compound's thiophene structure suggests potential for cytotoxicity at high concentrations. Any cellular studies would focus on evaluating the compound's cytotoxicity or its effects on cellular metabolism. A typical protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays.
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| Animal Protocol |
In vivo animal studies for 3-thiopheneacetic acid are not standard, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to toxicological evaluations of the compound as an industrial chemical. The compound's primary value lies in its use as a reagent for nanoparticle synthesis and enzymatic fuel cells. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-thiopheneacetic acid is limited, as it is primarily a research reagent. The compound has a molecular weight of 142.18 g/mol and a molecular formula of C₆H₆O₂S. It is a solid at room temperature with a melting point of 81-83°C and a boiling point of 274.3°C. As a thiophene carboxylic acid, it may undergo metabolic conjugation and oxidation. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
3-Thiopheneacetic acid 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 in a dry, cool place away from incompatible materials. 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 are available in the public domain.
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| Additional Infomation |
3-Thiopheneacetic acid (3-Thienylacetic acid, CAS 6964-21-2) is a biochemical reagent with the molecular formula C₆H₆O₂S. It is characterized by a thiophene ring attached to an acetic acid moiety. The compound is used as a reagent for the design of mediated enzymatic fuel cells and in the synthesis of gold nanoparticles. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes.
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| Molecular Formula |
C6H6O2S
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|---|---|
| Molecular Weight |
142.18
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| Exact Mass |
142.008
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| CAS # |
6964-21-2
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| Related CAS # |
114815-74-6
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| PubChem CID |
23404
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
274.3±15.0 °C at 760 mmHg
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| Melting Point |
73-76 °C(lit.)
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| Flash Point |
119.7±20.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.587
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| LogP |
1.18
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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 |
2
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| Heavy Atom Count |
9
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| Complexity |
114
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CSC=C1CC(=O)O
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| InChi Key |
RCNOGGGBSSVMAS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
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| Chemical Name |
2-thiophen-3-ylacetic acid
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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 | 7.0333 mL | 35.1667 mL | 70.3334 mL | |
| 5 mM | 1.4067 mL | 7.0333 mL | 14.0667 mL | |
| 10 mM | 0.7033 mL | 3.5167 mL | 7.0333 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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