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| Targets |
4'-Bromoacetophenone demonstrates activity against positive phototaxis of Chlamydomonas cells. The compound's primary biological activity is related to its effects on phototactic behavior in algae. In organic synthesis, it serves as a fundamental starting material. For applications requiring high stereochemical purity, such as chiral pharmaceutical intermediate synthesis, the 99% ee of the 4'-bromoacetophenone-derived product provides advantages over chloro and iodo analogs. The compound may interact with cellular signaling pathways involved in phototaxis.
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| ln Vitro |
It is active against Chlamydomonas cell positive phototaxis. essential components needed for organic synthesis.
In vitro, 4'-bromoacetophenone demonstrates activity against positive phototaxis of Chlamydomonas cells. It is used as a fundamental starting material for organic synthesis. The compound is a biochemical reagent suitable for life science research. It serves as a building block for chiral pharmaceutical intermediate synthesis. Cellular assays typically evaluate its effects on phototactic behavior in algae. The compound's high enantiomeric purity makes it valuable for stereochemical applications. |
| ln Vivo |
In vivo data for 4'-bromoacetophenone 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 applications. The compound has been found in plants of the genus Bacaria, suggesting natural occurrence. Its primary value lies in its use as a synthetic intermediate for pharmaceutical and agrochemical synthesis. Specific in vivo data is not available in the public literature.
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| Enzyme Assay |
In vitro assays for 4'-bromoacetophenone are not typically performed for receptor binding, as it is primarily a synthetic intermediate. The compound's activity against positive phototaxis of Chlamydomonas cells can be evaluated in cellular assays. A typical assay involves culturing Chlamydomonas cells in appropriate growth medium. Cells are treated with varying concentrations of the compound. Phototactic behavior is assessed by measuring cell migration toward a light source. The compound's effects on phototaxis are quantified.
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| Cell Assay |
Cellular assays for 4'-bromoacetophenone typically evaluate its effects on phototactic behavior in Chlamydomonas cells. A standard protocol involves culturing Chlamydomonas cells in liquid growth medium under appropriate light conditions. Cells are treated with varying concentrations of the compound (typically 1-100 μM)【28†L8-L9】. Positive phototaxis is assessed by exposing cells to directional light and measuring cell accumulation using spectrophotometry or microscopy. The compound's activity is quantified by comparing treated vs. control cells. Cell viability is assessed to ensure effects are not due to toxicity.
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| Animal Protocol |
In vivo animal studies for 4'-bromoacetophenone are not standard, as it is a synthetic intermediate rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on the final pharmaceutical products synthesized using this building block rather than on the building block itself. The compound's primary value lies in its use as a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4'-bromoacetophenone is limited, as it is primarily a research reagent. The compound has a molecular weight of 199.04 g/mol. It is stored as a solid at room temperature. As an acetophenone derivative, the compound may undergo metabolic reduction of the ketone and oxidative debromination. The compound's high enantiomeric purity makes it valuable for stereochemical applications. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for 4'-bromoacetophenone is limited, as it is primarily a research reagent. The compound 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 |
According to reports, 4'-bromoacetophenone has been found in plants of the genus Bacaria, and relevant data are available for reference.
4'-Bromoacetophenone (CAS 99-90-1) is a biochemical reagent with a molecular weight of 199.04 g/mol. It demonstrates activity against positive phototaxis of Chlamydomonas cells. 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. Its applications are limited to research and chemical synthesis. |
| Molecular Formula |
C8H7BRO
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|---|---|
| Molecular Weight |
199.04
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| Exact Mass |
197.968
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| CAS # |
99-90-1
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| PubChem CID |
7466
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
259.9±23.0 °C at 760 mmHg
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| Melting Point |
108-110 °C(lit.)
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| Flash Point |
94.3±9.9 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.554
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| LogP |
2.43
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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
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| Heavy Atom Count |
10
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| Complexity |
125
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)C1=CC=C(C=C1)Br
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| InChi Key |
WYECURVXVYPVAT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
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| Chemical Name |
1-(4-bromophenyl)ethanone
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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 | 5.0241 mL | 25.1206 mL | 50.2412 mL | |
| 5 mM | 1.0048 mL | 5.0241 mL | 10.0482 mL | |
| 10 mM | 0.5024 mL | 2.5121 mL | 5.0241 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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