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| Other Sizes |
| Targets |
5-Methyl-2-thiophenecarboxaldehyde does not have a specific, well-defined pharmacological target. Its biological activities, including anticancer activity, are attributed to its chemical properties. As a thiophene derivative, it may interact with various cellular targets. Its primary applications are in materials science as an NLO material.
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| ln Vitro |
5-Methyl-2-thiophenecarboxaldehyde exhibits in vitro anticancer activity. Its activity is assessed in cancer cell lines using cell viability assays (e.g., MTT). The compound also has potential applications in nonlinear optics. These in vitro activities confirm its utility as a research compound for both materials science and biomedical research.
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| ln Vivo |
In vivo, 5-methyl-2-thiophenecarboxaldehyde is not typically used as a therapeutic agent. Its primary applications are in materials science. Its anticancer activity suggests potential for in vivo studies, but detailed data are not available.
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| Enzyme Assay |
In vitro assays for 5-methyl-2-thiophenecarboxaldehyde are primarily chemical and biological. Its NLO properties are assessed using physical measurement techniques. Its anticancer activity is assessed in cancer cell lines using cell viability assays (e.g., MTT, CellTiter-Glo). Apoptosis and cell cycle analysis can be performed to characterize its mechanism of action.
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| Cell Assay |
Cellular assays for 5-methyl-2-thiophenecarboxaldehyde are conducted in cancer cell lines. Cells are treated with the compound at various concentrations, and cell proliferation is measured using MTT or CellTiter-Glo assays. Apoptosis is assessed by Annexin V staining or caspase activity assays. These assays characterize the compound's anticancer activity.
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| Animal Protocol |
In vivo animal experiments with 5-methyl-2-thiophenecarboxaldehyde are not extensively documented. Its anticancer activity could be studied in mouse xenograft models of cancer, but detailed protocols are not available.
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| ADME/Pharmacokinetics |
5-Methyl-2-thiophenecarboxaldehyde has a molecular weight of 126.18 and a molecular formula of C6H6OS. It is soluble in organic solvents and is typically stored at room temperature. Its pharmacokinetic properties have not been extensively characterized.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for 5-methyl-2-thiophenecarboxaldehyde are limited. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
5-Methyl-2-thiophenecarboxaldehyde is a type of thiophene compound. It has been reported that 5-methyl-2-thiophenecarboxaldehyde is present in tobacco (Nicotiana tabacum), and relevant data are available for reference. 5-Methyl-2-thiophenecarboxaldehyde is a metabolite found in or produced by the yeast Saccharomyces cerevisiae.
5-Methyl-2-thiophenecarboxaldehyde is a thiophene compound with anticancer activity. It is a candidate microscopic third-order nonlinear optical (NLO) material. It is used in materials science and biomedical research applications. It has a molecular weight of 126.18 and a molecular formula of C6H6OS. |
| Molecular Formula |
C₆H₆OS
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|---|---|
| Molecular Weight |
126.18
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| Exact Mass |
126.013
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| CAS # |
13679-70-4
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| PubChem CID |
61663
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| Appearance |
Yellow to brown liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
218.3±0.0 °C at 760 mmHg
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| Flash Point |
87.8±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.593
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| LogP |
1.48
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
8
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| Complexity |
92.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C(C([H])=O)=C([H])C([H])=C1C([H])([H])[H]
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| InChi Key |
VAUMDUIUEPIGHM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
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| Chemical Name |
5-methylthiophene-2-carbaldehyde
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| Synonyms |
5Methyl2thiophenecarboxaldehyde; 5 Methyl 2 thiophenecarboxaldehyde
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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) |
DMSO : ~50 mg/mL (~396.26 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.9252 mL | 39.6259 mL | 79.2519 mL | |
| 5 mM | 1.5850 mL | 7.9252 mL | 15.8504 mL | |
| 10 mM | 0.7925 mL | 3.9626 mL | 7.9252 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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