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| Targets |
2-Bromo-3-nitrobenzoic acid has been reported as an antibacterial agent that inhibits the growth of staphylococcus by inhibiting the synthesis of DNA and protein, which are required for cell division. As a synthetic intermediate, its primary targets are bacterial DNA and protein synthesis machinery. The compound's bromine and nitro substituents provide handles for diverse chemical transformations. The compound is used as a reagent for the synthesis of dendrodolides and bromophenazine antibacterial agents. Its primary applications are as a synthetic intermediate and antibacterial research tool.
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| ln Vitro |
In vitro, 2-bromo-3-nitrobenzoic acid is used as a biochemical reagent and organic compound for biomedical research. It acts as a reagent for the synthesis of dendrodolides A-D and their ester analogs and for the preparation of bromophenazine antibacterial agents. The compound is also used as an antibacterial agent that inhibits the growth of staphylococcus. Cellular assays typically evaluate its antibacterial activity or the activity of compounds synthesized from it. The compound's brominated nitrobenzoic acid scaffold allows for various chemical transformations, making it valuable for drug discovery and antibacterial research.
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| ln Vivo |
In vivo data for 2-bromo-3-nitrobenzoic 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 antibacterial activity suggests potential for therapeutic applications, though specific in vivo efficacy data is not available. The compound's primary value lies in its use as a synthetic intermediate and antibacterial research tool. Specific in vivo data for therapeutic applications is not available in the public literature.
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| Enzyme Assay |
In vitro antibacterial assays for 2-bromo-3-nitrobenzoic acid typically evaluate its activity against staphylococcus and other bacteria. A standard protocol involves culturing bacterial strains in appropriate growth medium at 37°C. Bacteria are treated with varying concentrations of the compound. Bacterial growth is assessed by measuring optical density (OD₆₀₀) or by colony counting. Minimum inhibitory concentration (MIC) values are determined. The compound's mechanism of action as an inhibitor of DNA and protein synthesis can be evaluated by measuring DNA and protein synthesis rates using radiolabeled precursors. IC₅₀ or MIC values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 2-bromo-3-nitrobenzoic acid typically evaluate its antibacterial activity. A standard protocol involves culturing bacterial strains (e.g., Staphylococcus) in growth medium at 37°C. Bacteria are treated with varying concentrations of the compound. Bacterial growth is assessed by measuring optical density or by colony counting. DNA and protein synthesis are measured using radiolabeled precursors. Cell viability is assessed by colony counting. MIC values are determined. The compound's antibacterial activity is compared to standard antibiotics.
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| Animal Protocol |
In vivo animal studies for 2-bromo-3-nitrobenzoic 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 evaluating its antibacterial efficacy in infection models. The compound's primary value lies in its use as a synthetic intermediate and antibacterial research tool. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-bromo-3-nitrobenzoic acid is limited, as it is primarily a research reagent. The compound has a molecular weight of 246.01 g/mol and a molecular formula of C₇H₄BrNO₄. It is a solid at room temperature. As a brominated nitrobenzoic acid, it may undergo metabolic reduction of the nitro group, dehalogenation, and conjugation. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
2-Bromo-3-nitrobenzoic 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 or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
2-Bromo-3-nitrobenzoic acid (CAS 573-54-6) is a biochemical reagent with the molecular formula C₇H₄BrNO₄. It is used as a synthetic intermediate for the preparation of dendrodolides, bromophenazine antibacterial agents, and as an antibacterial agent itself. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent.
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| Molecular Formula |
C7H4BRNO4
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|---|---|
| Molecular Weight |
246.02
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| Exact Mass |
244.932
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| CAS # |
573-54-6
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| PubChem CID |
68452
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.9±0.1 g/cm3
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| Boiling Point |
337.7±32.0 °C at 760 mmHg
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| Melting Point |
184-186 °C(lit.)
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| Flash Point |
158.1±25.1 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.650
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| LogP |
1.88
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
13
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| Complexity |
227
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
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| InChi Key |
WTDJEGSXLFHZPY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
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| Chemical Name |
2-bromo-3-nitrobenzoic 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 | 4.0647 mL | 20.3236 mL | 40.6471 mL | |
| 5 mM | 0.8129 mL | 4.0647 mL | 8.1294 mL | |
| 10 mM | 0.4065 mL | 2.0324 mL | 4.0647 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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