| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
m-Anisaldehyde does not have a well-defined pharmacological target, as it is primarily a chemical intermediate and endogenous metabolite. It has significant antifungal activity against Candida sp., suggesting it may interact with fungal cell membrane or enzyme targets. However, its specific molecular targets in fungi have not been fully characterized. The compound's aldehyde and methoxy groups make it reactive and capable of forming adducts with biological molecules.
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|---|---|
| ln Vitro |
m-Anisaldehyde demonstrates significant in vitro antifungal activity against Candida sp., including azole-resistant strains. It inhibits the growth of various Candida species in a concentration-dependent manner. The compound's antifungal activity is related to its aldehyde and methoxy functionality, which are common among plant-derived antimicrobial agents. However, detailed in vitro activity data, including MIC values, are limited. It is also used as a reagent in organic synthesis.
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| ln Vivo |
In vivo activity of m-Anisaldehyde is related to its role as an endogenous metabolite. It is found in various foods and may have biological effects in plants or animals. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its antifungal activity suggests potential applications in treating fungal infections, but further research is needed.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for m-Anisaldehyde are not typical, as it is a chemical intermediate rather than a well-defined pharmacologically active compound. Studies may involve measuring its antifungal activity using broth microdilution or disk diffusion methods. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for m-Anisaldehyde typically involve studying its antifungal effects on Candida species. Fungi are treated with the compound, and growth inhibition is measured using optical density or colony counting methods. The compound's effects on fungal cell viability and morphology are also assessed. Cytotoxicity assays may be performed to determine if the compound affects mammalian cell viability.
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| Animal Protocol |
In vivo animal experiments for m-Anisaldehyde are not typical, as it is a chemical intermediate rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or to evaluate its antifungal effects in infection models. However, comprehensive in vivo studies evaluating its pharmacokinetic properties are limited. The compound's antifungal activity warrants further investigation in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of m-Anisaldehyde have not been extensively characterized. With a molecular weight of 136.15 and a logP of 1.55-1.554, the compound is expected to have moderate lipophilicity. It is slightly soluble in water and has a boiling point of 228-229°C. The compound is volatile and can be absorbed through inhalation and skin contact. Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for m-Anisaldehyde indicate that it may be an irritant. Mutation data have been reported. As an aldehyde, it may cause skin and eye irritation and may be harmful if ingested or inhaled. The compound should be handled with care, and standard safety protocols for handling aldehydes should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
3-Methoxybenzaldehyde is a type of benzaldehyde compound in which the hydrogen at the 3-position is replaced by a methoxy group. It is a metabolite of rapeseed (Brassica napus). It belongs to the benzaldehyde class of compounds and is also a monomethoxybenzene. It has been reported that 3-methoxybenzaldehyde is also found in clove (Syzygium aromaticum), and relevant data exists.
m-Anisaldehyde is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a chemical intermediate in organic synthesis and as a reagent in the synthesis of various compounds. The compound is also an endogenous metabolite and has significant antifungal activity against Candida sp.. It is also known as 3-Methoxybenzaldehyde. Further research is needed to explore its potential therapeutic applications, particularly as an antifungal agent. |
| Molecular Formula |
C₈H₈O₂
|
|---|---|
| Molecular Weight |
136.15
|
| Exact Mass |
136.052
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| CAS # |
591-31-1
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| Related CAS # |
m-Anisaldehyde-d3;1219795-07-9
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| PubChem CID |
11569
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| Appearance |
Colorless to yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
230.8±13.0 °C at 760 mmHg
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| Flash Point |
100.2±13.4 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
|
| Index of Refraction |
1.547
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| LogP |
1.65
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
112
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1=C([H])C([H])=C([H])C(C([H])=O)=C1[H]
|
| InChi Key |
WMPDAIZRQDCGFH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
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| Chemical Name |
3-methoxybenzaldehyde
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| Synonyms |
mAnisaldehyde; m Anisaldehyde
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~100 mg/mL (~734.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 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 (18.36 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (18.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 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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