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| Targets |
2,3-Dibromosuccinic acid is classified as a drug intermediate. Its primary use is as a chemical intermediate in organic synthesis, particularly in the synthesis of dicarboxylic acid derivatives. The compound can be used as an experimental control. As a brominated dicarboxylic acid, it can participate in various chemical reactions including nucleophilic substitution, elimination, and reduction. Its targets are not biological receptors or enzymes but rather chemical reaction pathways. The compound's utility lies in its ability to serve as a building block for the synthesis of more complex molecules, including potential pharmaceutical compounds.
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| ln Vitro |
In vitro studies of 2,3-Dibromosuccinic acid have focused on its role as a chemical intermediate and experimental control. The compound is used in the synthesis of dicarboxylic acid derivatives. Its reactivity and stability have been characterized in various chemical reactions. The compound's purity and properties are assessed using analytical chemistry methods. As a research chemical, its primary applications are in organic synthesis and as a reference standard. These in vitro studies provide foundational data for understanding the compound's chemical properties and its utility in synthesis applications.
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| ln Vivo |
In vivo studies of 2,3-Dibromosuccinic acid are limited, as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. Its applications in organic synthesis suggest it may be used in the production of pharmaceutical compounds that are subsequently evaluated in vivo. The compound's metabolism in vivo would follow standard pathways for brominated dicarboxylic acids. Its use as an experimental control indicates it may be used in comparative studies. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro enzyme assays for 2,3-Dibromosuccinic acid are not typically performed, as the compound is primarily used as a chemical intermediate rather than a biological agent. Its chemical properties and purity are assessed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, infrared spectroscopy, and mass spectrometry. Melting point determination is used to assess purity. The compound's reactivity in chemical reactions is evaluated using standard organic chemistry techniques. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 2,3-Dibromosuccinic acid are limited, as the compound is primarily used as a chemical intermediate rather than a biological agent. Its potential cytotoxicity or biological effects would be evaluated in the context of its use as a research chemical. Cell viability assays using relevant cell lines could be performed if needed. However, comprehensive cell-based studies specifically targeting 2,3-Dibromosuccinic acid as a biological agent are not well documented in the available literature. The compound is primarily used in organic synthesis applications.
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| Animal Protocol |
In vivo animal experiments for 2,3-Dibromosuccinic acid are not well documented, as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. For toxicology studies, animals may be administered the compound to evaluate its safety profile. Parameters assessed would include body weight, food consumption, general health, and clinical observations. Blood and tissue samples would be collected for biochemical analysis and histopathological examination. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2,3-Dibromosuccinic acid reflect its nature as a small brominated dicarboxylic acid. It has a molecular weight of 275.88 and the molecular formula C4H4Br2O4. The compound appears as a white crystalline powder with a melting point of 157-158°C. It has a density of and is soluble in water. The compound is stored as a powder at -20°C for up to 3 years or at 4°C for 2 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2,3-Dibromosuccinic acid has been evaluated in the context of its use as a research chemical. The compound causes burns and lachrymation. Inhalation may cause corrosive injuries to the upper respiratory tract and lungs. Proper handling procedures including use of personal protective equipment, gloves, and eye protection are essential. Work should be performed in a well-ventilated area or fume hood. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile. The compound's corrosive nature requires careful handling.
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| References | |
| Additional Infomation |
2,3-Dibromosuccinic acid (CAS# 526-78-3) is also known as 2,3-dibromobutanedioic acid. It has the molecular formula C4H4Br2O4 and a molecular weight of 275.88. The compound appears as a white crystalline powder and has a melting point of 157-158°C. It is the isomer of (-)-2,3-Dibromosuccinic acid and can be used as an experimental control. The compound is a key intermediate in the synthesis of dicarboxylic acid derivatives. It is classified as a drug intermediate. The related CAS number is 1114-00-7. The compound is intended for research use only.
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| Molecular Formula |
C4H4BR2O4
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| Molecular Weight |
275.88
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| Exact Mass |
273.847
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| CAS # |
526-78-3
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| Related CAS # |
(±)-2,3-Dibromosuccinic acid;1114-00-7
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| PubChem CID |
95324
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| Appearance |
White to off-white solid powder
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| Density |
2.5±0.1 g/cm3
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| Boiling Point |
262.4±40.0 °C at 760 mmHg
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| Melting Point |
255-260ºC
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| Flash Point |
112.5±27.3 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.622
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| LogP |
2.34
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
10
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| Complexity |
139
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C(C(=O)O)Br)(C(=O)O)Br
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| InChi Key |
FJWGRXKOBIVTFA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)
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| Chemical Name |
2,3-dibromobutanedioic 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 | 3.6248 mL | 18.1238 mL | 36.2476 mL | |
| 5 mM | 0.7250 mL | 3.6248 mL | 7.2495 mL | |
| 10 mM | 0.3625 mL | 1.8124 mL | 3.6248 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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