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| Other Sizes |
| Targets |
2-Nitrobenzaldehyde does not have a single well-defined molecular target but exhibits multiple biological activities. It acts by inhibiting the growth and proliferation of microorganisms and cancer cells through various mechanisms, such as DNA damage, cell cycle arrest, and apoptosis. As a biochemical reagent, it is used in various research applications. Its mechanism of action may involve the generation of reactive intermediates that interact with cellular macromolecules.
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| ln Vitro |
In vitro, 2-nitrobenzaldehyde has been shown to exhibit antimicrobial, antifungal, and antitumor activity. It inhibits the growth and proliferation of microorganisms and cancer cells through mechanisms such as DNA damage, cell cycle arrest, and apoptosis. The compound is used as a biochemical reagent for life science related research. It can be used for fluorescent immunochromatographic strip tests.
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| ln Vivo |
In vivo, 2-nitrobenzaldehyde is not used as a therapeutic drug but is used as a research compound. The compound has been shown to exhibit antimicrobial, antifungal, and antitumor activity. Its acute toxicity has been evaluated in mice, with an oral LC50 of 600 mg/kg. The compound's primary applications are in research rather than as a therapeutic agent.
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| Enzyme Assay |
In non-cell-based biochemical assays, 2-nitrobenzaldehyde is evaluated using standard analytical methods. Its purity is assessed using HPLC (99.92%). Its solubility in DMSO (90 mg/mL) is characterized. The compound's ability to act as a fluorescent probe is assessed using fluorescence spectroscopy. Its antimicrobial and antitumor activities are evaluated in biochemical assays.
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| Cell Assay |
In vitro cellular assays for 2-nitrobenzaldehyde involve testing its effects on cultured cells. The compound's antimicrobial activity is tested against bacterial and fungal pathogens using standard susceptibility testing methods. Its antitumor activity is evaluated against cancer cell lines, and cell viability, proliferation, and apoptosis are assessed. The compound's ability to cause DNA damage and cell cycle arrest is measured using standard molecular biology techniques.
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| Animal Protocol |
In vivo animal studies for 2-nitrobenzaldehyde have been conducted to assess its acute toxicity. The compound has an oral LC50 of 600 mg/kg in mice. Effects observed include altered sleep time, respiratory difficulty, and changes in salivary gland structure or function. The compound is typically administered via oral gavage in toxicity studies. However, specific protocols and detailed data are limited in publicly available sources.
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| ADME/Pharmacokinetics |
2-Nitrobenzaldehyde has a molecular weight of 151.12 and a molecular formula of C7H5NO3. It is a solid compound with solubility in DMSO at 90 mg/mL. The compound is a biochemical reagent that can be used as a biological material or organic compound for life science related research. It can be used for fluorescent immunochromatographic strip tests.
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| Toxicity/Toxicokinetics |
2-Nitrobenzaldehyde has an oral LC50 of 600 mg/kg in mice. Effects include altered sleep time, respiratory difficulty, and changes in salivary gland structure or function. The compound should be handled with appropriate safety precautions, as it is a nitroaromatic compound that may have toxicological effects. It should be stored and handled in accordance with standard laboratory safety guidelines.
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| Additional Infomation |
2-Nitrobenzaldehyde is a compound in which a nitro group is substituted at the ortho position of benzaldehyde. It is a C-nitro compound and belongs to the benzaldehyde class of compounds.
2-Nitrobenzaldehyde is a biochemical compound with antimicrobial, antifungal, and antitumor activity. It acts by inhibiting the growth and proliferation of microorganisms and cancer cells through mechanisms such as DNA damage, cell cycle arrest, and apoptosis. The compound can be used as a biological material or organic compound for life science related research and for fluorescent immunochromatographic strip tests. 2-Nitrobenzaldehyde is not an approved drug and is intended for research use only. |
| Molecular Formula |
C7H5NO3
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|---|---|
| Molecular Weight |
151.1195
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| Exact Mass |
151.026
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| CAS # |
552-89-6
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| PubChem CID |
11101
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
268.2±0.0 °C at 760 mmHg
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| Melting Point |
42-44 °C(lit.)
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| Flash Point |
144.0±15.4 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.618
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| LogP |
1.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
164
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1=CC=CC=C1N(=O)=O
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| InChi Key |
CMWKITSNTDAEDT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
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| Chemical Name |
2-nitrobenzaldehyde
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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 (~661.73 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.54 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (16.54 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6173 mL | 33.0863 mL | 66.1726 mL | |
| 5 mM | 1.3235 mL | 6.6173 mL | 13.2345 mL | |
| 10 mM | 0.6617 mL | 3.3086 mL | 6.6173 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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