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Dibromoacetic acid

Cat No.:V35083 Purity: ≥98%
Dibromoacetic acid is a haloacetic acid that is often present in drinking water as a disinfection by-product and can cause many adverse reactions such as immunotoxicity and induction of apoptosis.
Dibromoacetic acid
Dibromoacetic acid Chemical Structure CAS No.: 631-64-1
Product category: Apoptosis
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
Other Sizes
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Product Description
Dibromoacetic acid is a haloacetic acid that is often present in drinking water as a disinfection by-product and can cause many adverse reactions such as immunotoxicity and induction of apoptosis.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Thymocyte proliferation is significantly reduced in vitro when exposed to DBAA (5–40 μM)[1]. Cell cycle arrest was induced by DBAA treatment (5–40 μM) for a 24-hour period. Thymocytes treated with varying concentrations of DBAA exhibited a minimum 40% increase in the G0 /G1 phase and a 50% decrease in the S phase, according to the data[1]. For a 24-hour period, DBAA (5–40 μM) increases the expression of Fas/FasL and decreases the expression of Bcl-2[1].
ln Vivo
Based on a higher frequency of malignant mesothelioma in male rats, there is some indication that dibromoacetic acid has carcinogenic potential. The elevated rates of mononuclear cell leukemia observed in male rats could potentially be linked to exposure to dibromoacetic acid [2]. Dibromoacetic acid activity in female rats is based on a positive trend and higher frequency of mononuclear cell leukemia [2]. Based on elevated occurrences of hepatocellular neoplasms and hepatoblastoma (in males only), dibromoacetic acid is clearly carcinogenic in both male and female mice. Male mice also had higher rates of lung neoplasms, which were thought to be associated to exposure[2].
Cell Assay
Cell Proliferation Assay[1]
Cell Types: Thymocytes from BALB/c mice
Tested Concentrations: 0, 5, 10, 20, and 40 μM
Incubation Duration: 6, 12, 24, 48, and 72 hrs (hours)
Experimental Results: Led to a Dramatically diminished cell proliferative response to T-cell mitogen for 6 hr or longer. At 6 hr, significant inhibition was observed only at 40 μM, and significant inhibition was observed for all concentrations at 24, 48, and 72 hr.

Western Blot Analysis[1]
Cell Types: Thymocytes
Tested Concentrations: 0, 5, 10, 20, and 40 μM
Incubation Duration: 24 hrs (hours)
Experimental Results: The expression of Fas/FasL increased Dramatically from 10 μM, and the expression of Bcl-2 diminished at all concentration.
Animal Protocol
Animal/Disease Models: Male and female F344/N rats and B6C3F1 mice[2]
Doses: Groups of five male and five female rats/mice were exposed to 0, 125, 250, 500, 1,000, or 2,000 mg/L Dibromoacetic acid in drinking water for 2 weeks Groups of 10 male and 10 female rats /mice were exposed to 0, 125, 250, 500, 1,000, or 2,000 mg/L Dibromoacetic acid in drinking water for 3 months Groups of 50 male and 50 female rats/mice were exposed to drinking water containing 0, 50, 500, and 1,000 mg/L Dibromoacetic acid for 2 years
Route of Administration: Exposed to Dibromoacetic acid (greater than 99% pure) in drinking water for 2 weeks, 3 months, or 2 years.
Experimental Results: Exposure to Dibromoacetic acid for 2 years caused increased incidences of cystic degeneration of the liver in male rats, increased incidences of alveolar epithelial hyperplasia and nephropathy in female rats, and increased incidences of splenic hematopoiesis in male mice.
References
[1]. Shu-Ying Gao, et al. Dibromoacetic Acid Induces Thymocyte Apoptosis by Blocking Cell Cycle Progression, Increasing Intracellular Calcium, and the Fas/FasL Pathway in Vitro.Toxicol Pathol. 2016 Jan;44(1):88-97.
[2]. National Toxicology Program. Toxicology and carcinogenesis studies of dibromoacetic acid (Cas No. 631-64-1) in F344/N rats and B6C3F1 mice (drinking water studies). Natl Toxicol Program Tech Rep Ser. 2007 Apr;(537):1-320.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C2H2BR2O2
Molecular Weight
217.84
CAS #
631-64-1
Appearance
Typically exists as solids (or liquids in special cases) at room temperature
SMILES
BrC(Br)C(O)=O
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : 100 mg/mL (459.05 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.5 mg/mL (11.48 mM) 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; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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 2: ≥ 2.5 mg/mL (11.48 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.5905 mL 22.9526 mL 45.9053 mL
5 mM 0.9181 mL 4.5905 mL 9.1811 mL
10 mM 0.4591 mL 2.2953 mL 4.5905 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.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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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