| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
The compound targets bacterial pathogens with broad-spectrum antimicrobial activity. It inhibits a range of Gram-positive and Gram-negative bacteria, including Bacillus subtilis, Staphylococcus aureus, Streptococcus pneumoniae, Escherichia coli, and Pseudomonas aeruginosa, as well as the fungus Pseudomonas albicans. As an endogenous metabolite, it may interact with metabolic pathways.
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|---|---|
| ln Vitro |
In vitro, 3,5-dimethylbenzaldehyde exhibits broad-spectrum antimicrobial activity. It inhibits the growth of various bacterial and fungal pathogens. The compound is used in antimicrobial susceptibility testing. Minimum inhibitory concentration (MIC) assays are performed to determine the compound's potency against different microorganisms. It is also used as a chemical building block in organic synthesis.
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| ln Vivo |
In vivo, the antimicrobial activity of 3,5-dimethylbenzaldehyde suggests potential applications in treating infections. However, no specific in vivo studies are available in the search results. As an endogenous metabolite, the compound may be present in biological systems. Further in vivo studies are needed to evaluate its efficacy and safety as an antimicrobial agent.
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| Enzyme Assay |
In vitro antimicrobial susceptibility testing is performed using broth microdilution or agar diffusion methods. Bacterial cultures (e.g., E. coli, S. aureus) are grown in Mueller-Hinton broth and treated with 3,5-dimethylbenzaldehyde at concentrations ranging from 0.1-1000 µg/mL. MICs are determined as the lowest concentration that inhibits visible growth after 18-24 hours of incubation at 37°C. For antifungal activity, similar methods are used with fungal cultures.
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| Cell Assay |
For in vitro cell assays, mammalian cells are cultured in medium supplemented with 3,5-dimethylbenzaldehyde at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay to evaluate cytotoxicity. Antimicrobial activity is assessed by co-culture with bacterial pathogens. The compound's effects on cell proliferation and viability are evaluated. Selectivity index is calculated by comparing cytotoxicity to antimicrobial activity.
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| Animal Protocol |
For in vivo animal studies, 3,5-dimethylbenzaldehyde would typically be administered to rodents via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg in infection models. Blood and tissue samples would be collected for pharmacokinetic analysis. Efficacy against bacterial infections would be evaluated by measuring bacterial load in infected tissues. However, no specific in vivo studies are available in the search results.
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| ADME/Pharmacokinetics |
3,5-Dimethylbenzaldehyde has a molecular weight of approximately 134.18. It is soluble in organic solvents. The compound is stable as a powder at -20°C for 3 years and in solvent at -80°C for 1 year. It is a member of benzaldehydes and a methylbenzene. The compound is used as a chemical building block in organic synthesis. It has a characteristic aromatic aldehyde odor.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available in the search results. As a benzaldehyde derivative, it may cause irritation upon contact with skin or eyes. The compound's antimicrobial activity suggests it may have effects on microbial flora at high concentrations. Standard safety precautions should be followed when handling.
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| References | |
| Additional Infomation |
Reports have indicated that tobacco contains 3,5-dimethylbenzaldehyde, and relevant data is available for reference.
3,5-Dimethylbenzaldehyde (CAS# 5779-95-3) is a chemical compound and research reagent used primarily as a building block in organic synthesis and in studies of antimicrobial activity. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound's broad-spectrum antimicrobial activity makes it of interest in drug discovery and microbiology research. It is also classified as an endogenous metabolite. |
| Molecular Formula |
C9H10O
|
|---|---|
| Molecular Weight |
134.18
|
| Exact Mass |
134.073
|
| CAS # |
5779-95-3
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| PubChem CID |
34225
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
221.0±0.0 °C at 760 mmHg
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| Melting Point |
8-10 °C
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| Flash Point |
87.5±5.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.551
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| LogP |
2.56
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
110
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C([H])C1C([H])=C(C([H])([H])[H])C([H])=C(C([H])([H])[H])C=1[H]
|
| InChi Key |
NBEFMISJJNGCIZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
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| Chemical Name |
3,5-dimethylbenzaldehyde
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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 (745.27 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.63 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 (18.63 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 (18.63 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 | 7.4527 mL | 37.2634 mL | 74.5268 mL | |
| 5 mM | 1.4905 mL | 7.4527 mL | 14.9054 mL | |
| 10 mM | 0.7453 mL | 3.7263 mL | 7.4527 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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