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|---|---|---|
| Other Sizes |
| Targets |
Chalcone dibromide does not have specific biological targets as a therapeutic agent. Its primary utility is as a chemical synthon for the synthesis of bioactive molecules. It possesses antioxidant effects against tumor cells by inhibiting superoxide production and lipid peroxidation. The compound is used in medicinal chemistry and drug discovery research to explore structure-activity relationships and novel therapeutic mechanisms.
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| ln Vitro |
In vitro, Chalcone dibromide possesses antioxidant effects against tumor cells by inhibiting superoxide production and lipid peroxidation. Its primary activity is as a chemical precursor for the synthesis of various bioactive heterocyclic compounds. The compound exhibits notable anticancer, anti-inflammatory, and antimicrobial properties.
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| ln Vivo |
In vivo activity data for Chalcone dibromide have not been extensively documented. The compound is primarily used as a chemical reagent and synthetic intermediate rather than as a pharmacological agent. Its in vivo effects would be dependent on the specific bioactive molecules synthesized from it.
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| Enzyme Assay |
Specific protocols for enzyme or receptor binding assays have not been established for Chalcone dibromide. As a chemical reagent, it is not typically evaluated in binding assays. Its antioxidant activity can be assessed using cell-free assays such as superoxide scavenging and lipid peroxidation inhibition assays.
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| Cell Assay |
Cell-based assays for Chalcone dibromide involve treating cancer cell lines to evaluate its antioxidant and anticancer effects. The compound's ability to inhibit superoxide production and lipid peroxidation can be measured in cellular models. Its cytotoxicity can be assessed using standard viability assays such as MTT or SRB.
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| Animal Protocol |
In vivo animal protocols for Chalcone dibromide have not been established. The compound is used as a chemical reagent rather than a therapeutic agent. Its in vivo applications would involve the evaluation of compounds synthesized from it.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Chalcone dibromide are not available. The compound has a molecular weight of 368.06 and a molecular formula of C15H12Br2O. It is insoluble in water (7.0E-3 g/L at 25°C). It is stored as a powder at -20°C for up to 3 years and in solvent at -80°C for up to 6 months.
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| Toxicity/Toxicokinetics |
Toxicological data for Chalcone dibromide are limited. As a brominated organic compound, it should be handled with standard laboratory precautions. Its antioxidant effects against tumor cells suggest potential therapeutic applications, but formal safety assessments are lacking.
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| References | |
| Additional Infomation |
Chalcone dibromide is a research-use-only compound. It is a useful synthon in the synthesis of a large number of bioactive molecules such as pyrazolines, hydroxy pyrazolines, isoxazoles, and other heterocyclic compounds. It possesses antioxidant effects against tumor cells by inhibiting superoxide production and lipid peroxidation. It is widely used in medicinal chemistry and drug discovery research.
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| Molecular Formula |
C15H12BR2O
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|---|---|
| Molecular Weight |
368.06
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| Exact Mass |
365.925
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| CAS # |
611-91-6
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| PubChem CID |
95342
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| Appearance |
White to off-white solid powder
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| Density |
1.631g/cm3
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| Boiling Point |
411.5ºC at 760 mmHg
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| Melting Point |
156ºC
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| Flash Point |
104.7ºC
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| Index of Refraction |
1.635
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| LogP |
4.769
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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 |
4
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| Heavy Atom Count |
18
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| Complexity |
268
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LYAGBKGGYRLVTR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H
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| Chemical Name |
2,3-dibromo-1,3-diphenylpropan-1-one
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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 | 2.7169 mL | 13.5847 mL | 27.1695 mL | |
| 5 mM | 0.5434 mL | 2.7169 mL | 5.4339 mL | |
| 10 mM | 0.2717 mL | 1.3585 mL | 2.7169 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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