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| Targets |
2-Bromo-5-hydroxybenzaldehyde is used as a reactant in the synthesis of numerous medicinal drugs. It is primarily used as a reactant in the preparation of drugs such as Bcl-XL, PDE4 inhibitors, inhibitors of prostate cancer cell growth, and anti-inflammatory agents. The compound's biological activity is attributed to its ability to inhibit the activity of various enzymes and proteins, including aldose reductase.
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| ln Vitro |
2-Bromo-5-hydroxybenzaldehyde is a helpful reactant for cell growth inhibitor removal, BCL-XL synthesis, and PDE4 inhibitor synthesis. Additionally, it serves as a reactant in the synthesis of numerous medicinal drugs.
In vitro, 2-bromo-5-hydroxybenzaldehyde is used as a chemical reagent and synthetic intermediate. It is a useful reactant for cell growth inhibitor removal, BCL-XL synthesis, and PDE4 inhibitor synthesis. The compound is used as a reactant in the synthesis of numerous medicinal drugs and as a reactant in the preparation of inhibitors of prostate cancer cell growth and anti-inflammatory agents. |
| ln Vivo |
In vivo data for 2-bromo-5-hydroxybenzaldehyde as a therapeutic agent are limited. The compound is a synthetic intermediate used in the development of various pharmaceuticals. Its in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its brominated hydroxybenzaldehyde scaffold. Specific in vivo efficacy and pharmacokinetic data for the parent compound are not well-documented.
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| Enzyme Assay |
For in vitro chemical synthesis, 2-bromo-5-hydroxybenzaldehyde is used as a reactant for the synthesis of BCL-XL, PDE4 inhibitors, and other pharmaceuticals. Standard protocols involve reacting the compound with appropriate reagents to introduce various substituents through condensation, alkylation, or cross-coupling reactions. The aldehyde and hydroxyl groups provide handles for derivatization.
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| Cell Assay |
For in vitro cell-based experiments, 2-bromo-5-hydroxybenzaldehyde is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 2-bromo-5-hydroxybenzaldehyde are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For PDE4 inhibitors, anti-inflammatory agents, and prostate cancer therapeutics derived from this building block, efficacy studies would typically be performed in appropriate animal models. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-bromo-5-hydroxybenzaldehyde as a standalone compound are not characterized in the literature. The compound has a molecular weight of 201.02 g/mol, which is favorable for oral bioavailability. The bromine atom may influence metabolic stability and lipophilicity. The hydroxyl group may be subject to metabolic conjugation. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
2-Bromo-5-hydroxybenzaldehyde is a research chemical and should be handled with appropriate laboratory safety precautions. As a brominated aldehyde, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
See also: 5-bromosalicylic acid (note moved to).
2-Bromo-5-hydroxybenzaldehyde (CAS 2973-80-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a reactant for the synthesis of BCL-XL, PDE4 inhibitors, inhibitors of prostate cancer cell growth, and anti-inflammatory agents. No clinical trials or approved therapeutic indications exist for this compound. |
| Molecular Formula |
C7H5BRO2
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|---|---|
| Molecular Weight |
201.02
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| Exact Mass |
199.947
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| CAS # |
2973-80-0
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| PubChem CID |
387179
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| Appearance |
White to light brown solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
286.7±20.0 °C at 760 mmHg
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| Melting Point |
130-135ºC
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| Flash Point |
127.2±21.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.657
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| LogP |
2.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1O)C=O)Br
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| InChi Key |
SCRQAWQJSSKCFN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
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| Chemical Name |
2-bromo-5-hydroxybenzaldehyde
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 4.9746 mL | 24.8731 mL | 49.7463 mL | |
| 5 mM | 0.9949 mL | 4.9746 mL | 9.9493 mL | |
| 10 mM | 0.4975 mL | 2.4873 mL | 4.9746 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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