| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Bromo-3-pyridinol is used as a building block for the preparation of phenyl-substituted 3-hydroxypyridin-2(1H)-ones, which act as inhibitors of influenza A endonuclease, used for the treatment of influenza infection. The compound's primary targets are related to viral replication, specifically the influenza A endonuclease. It has also been used in the total synthesis of pterocellin A by reacting with kojic acid and in the synthesis of orelline. The compound's bromine and hydroxyl substituents enable diverse chemical transformations for drug discovery.
|
|---|---|
| ln Vitro |
In vitro, 2-bromo-3-pyridinol is used as a biochemical reagent and organic compound in life science research. It serves as a versatile building block for the synthesis of various pharmaceutical compounds. The compound is used in the preparation of phenyl-substituted 3-hydroxypyridin-2(1H)-ones as inhibitors of influenza A endonuclease. It is also employed in the total synthesis of natural products such as pterocellin A. Cellular assays typically evaluate the antiviral activity of compounds synthesized from this building block.
|
| ln Vivo |
In vivo data for 2-bromo-3-pyridinol 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. However, influenza A endonuclease inhibitors synthesized using this building block have been investigated for their therapeutic potential in treating influenza infections. The compound's primary value lies in its use as a synthetic intermediate for preparing compounds that may subsequently be evaluated in animal models of viral infection. Specific in vivo data for the parent compound is not available.
|
| Enzyme Assay |
In vitro enzyme assays for 2-bromo-3-pyridinol are not typically performed, as it is a synthetic intermediate. The compound is used as a building block in the synthesis of influenza A endonuclease inhibitors. A typical assay involves using the compound in chemical reactions to prepare phenyl-substituted 3-hydroxypyridin-2(1H)-ones. The compound is dissolved in organic solvents such as DMSO or ethanol. Endonuclease inhibition assays with purified influenza A endonuclease can be performed to evaluate the activity of the final synthesized compounds using fluorescent or radioactive substrates. IC₅₀ values are calculated from dose-response curves.
|
| Cell Assay |
Cellular assays for 2-bromo-3-pyridinol derivatives typically evaluate antiviral activity against influenza A virus. A standard protocol involves culturing appropriate cell lines (e.g., MDCK cells) in growth medium at 37°C with 5% CO₂. Cells are infected with influenza A virus and treated with varying concentrations of synthesized compounds. Viral replication is assessed by measuring viral titers (plaque assay or TCID₅₀), viral RNA levels (qRT-PCR), or cytopathic effect. Cytotoxicity is evaluated using MTT or similar assays. EC₅₀ and CC₅₀ values are calculated from dose-response curves, and the selectivity index is determined.
|
| Animal Protocol |
In vivo animal studies for 2-bromo-3-pyridinol 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 influenza A endonuclease inhibitors synthesized using this building block. These studies would evaluate antiviral efficacy, pharmacokinetics, and safety in mouse models of influenza infection. The compound's primary value lies in its use as a synthetic intermediate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-bromo-3-pyridinol is limited, as it is primarily a research reagent. The compound has a molecular weight of 174 g/mol and a molecular formula of C₅H₄BrNO. It is a solid at room temperature with a melting point of 185-188°C. The compound is soluble in alcohol but insoluble in water and has a pKa of 4.32±0.10. It is stored under inert atmosphere at room temperature. As a brominated pyridinol, it may undergo metabolic conjugation and dehalogenation. Specific ADME data is not available.
|
| Toxicity/Toxicokinetics |
2-Bromo-3-pyridinol is classified as an irritant (Xi) and harmful (Xn) with risk statements R36/37/38 (irritating to eyes, respiratory system, and skin) and R20/21/22 (harmful by inhalation, in contact with skin, and if swallowed). 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 under inert atmosphere away from incompatible materials. Acute toxicity data is limited.
|
| Additional Infomation |
2-Bromo-3-pyridinol (CAS 6602-32-0) is a biochemical reagent with the molecular formula C₅H₄BrNO. It is also known as 2-bromo-3-hydroxypyridine. The compound is a versatile building block used in pharmaceutical and agrochemical synthesis, particularly for preparing influenza A endonuclease inhibitors. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. The compound 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.
|
| Molecular Formula |
C5H4BRNO
|
|---|---|
| Molecular Weight |
174.00
|
| Exact Mass |
172.947
|
| CAS # |
6602-32-0
|
| PubChem CID |
23070
|
| Appearance |
Off-white to light brown solid powder
|
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
321.7±22.0 °C at 760 mmHg
|
| Melting Point |
185-188 °C(lit.)
|
| Flash Point |
148.4±22.3 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.614
|
| LogP |
1.66
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
8
|
| Complexity |
78.8
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
BrC1=C(C([H])=C([H])C([H])=N1)O[H]
|
| InChi Key |
YKHQFTANTNMYPP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
|
| Chemical Name |
2-bromopyridin-3-ol
|
| 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 (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
|
|---|---|
| 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 | 5.7471 mL | 28.7356 mL | 57.4713 mL | |
| 5 mM | 1.1494 mL | 5.7471 mL | 11.4943 mL | |
| 10 mM | 0.5747 mL | 2.8736 mL | 5.7471 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
