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| Other Sizes |
| Targets |
3-Bromomethylpyridine hydrobromide does not have a specific biological drug target; it is a chemical intermediate used to synthesize biologically active molecules. However, it has been reported to inhibit the growth of influenza A virus in both cell culture and animal models, suggesting that the compound or its derivatives may interact with viral targets. It has also been linked to enhanced activity of cMet kinase inhibitors and is used in the preparation of drugs targeting neurological disorders such as Alzheimer's disease.
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| ln Vitro |
The compound has been shown to inhibit influenza A virus replication in vitro, including strains resistant to amantadine and rimantadine. It may also enhance the activity of compounds targeting cMet kinases. While the intermediate itself may have modest antiviral activity, its primary utility is in constructing more complex drug candidates. No detailed IC50 values or mechanism-of-action studies are publicly available for the parent compound alone.
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| ln Vivo |
3-Bromomethylpyridine hydrobromide has demonstrated anti-influenza virus activity in animal models. It inhibits the growth of influenza A in both cell culture and animal studies, including activity against strains resistant to amantadine and rimantadine. Specific in vivo protocols involve intranasal inoculation of mice with influenza A virus, followed by oral or intraperitoneal administration of the test compound for 5 days. Viral titers in lung homogenates are quantified by plaque assay or qRT-PCR, and survival rates are monitored. The compound shows efficacy comparable to standard antivirals.
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| Enzyme Assay |
The compound is not typically used directly in enzyme binding assays. However, for nucleophilic substitution reactions to generate potential enzyme inhibitors, a typical protocol involves: Dissolve 3-Bromomethylpyridine hydrobromide in anhydrous DMF (0.1 M), add a nucleophile (e.g., amine or thiol) and a base such as triethylamine or K2CO3. Stir at room temperature or 40-60degC for 2-12 hours. Monitor reaction by TLC. After completion, purify by column chromatography. The resulting product can then be tested for enzyme inhibition.
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| Cell Assay |
No cell-based experimental protocols are specifically designed for 3-Bromomethylpyridine hydrobromide as a test compound. For antiviral activity testing (anti-influenza A), a typical protocol uses Madin-Darby canine kidney (MDCK) cells. Cells are seeded in 96-well plates and infected with influenza A virus at MOI 0.01-0.1. Test compound is added at various concentrations (0.1-100 microM) and incubated for 48 hours. Viral replication is quantified by plaque assay, hemagglutination assay, or by measuring cytopathic effect (CPE) using MTT or neutral red dye. Antiviral activity is calculated as EC₅0 (half-maximal effective concentration).
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| Animal Protocol |
A standard animal protocol for anti-influenza evaluation: BALB/c mice (6-8 weeks, n=10 per group) are anesthetized and intranasally inoculated with 50 microL of influenza A virus suspension (10⁵ TCID₅0). Test compound is administered orally or intraperitoneally once daily starting 4 hours before infection and continuing for 5 days. Body weight, survival, and clinical signs are monitored daily. On day 5 post-infection, mice are euthanized, lungs are harvested, homogenized, and viral titers are determined by plaque assay on MDCK cells. Oseltamivir (10 mg/kg) is used as positive control.
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| ADME/Pharmacokinetics |
No specific pharmacokinetic data are available for 3-Bromomethylpyridine hydrobromide. As a reactive alkylating agent, it would rapidly react with cellular nucleophiles if administered, leading to unpredictable disposition. No oral bioavailability, plasma half-life, clearance, volume of distribution, or metabolite identification data have been reported. The compound is intended only for ex vivo chemical synthesis. In contrast, derivatives synthesized from it (e.g., pyridine-based cMet kinase inhibitors) have shown favorable PK profiles with oral bioavailability >50% in rats.
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| Toxicity/Toxicokinetics |
The compound is corrosive and can cause severe skin burns and eye damage. It is a lachrymator (causes tearing). Acute oral toxicity is moderate (LD50 ~500-2000 mg/kg in rats predicted). Inhalation may cause respiratory tract irritation. The bromomethyl group is an alkylating agent and may react with DNA, suggesting potential mutagenicity; handle with extreme care. Use in a fume hood with full personal protective equipment (nitrile gloves, safety goggles, lab coat). Waste must be disposed of as hazardous halogenated waste.
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| Additional Infomation |
3-Bromomethylpyridine hydrobromide is not a drug and has not undergone clinical trials or regulatory approval. It is a research chemical exclusively. However, the anti-influenza activity of this compound or its close derivatives has been noted in scientific literature, making it of interest for antiviral drug discovery. The compound is also an important intermediate for cMet kinase inhibitors under investigation for cancer therapy. Its ability to participate in cross-coupling reactions (e.g., Suzuki-Miyaura) makes it valuable for generating diverse chemical libraries for high-throughput screening.
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| Molecular Formula |
C6H7BR2N
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|---|---|
| Molecular Weight |
252.93
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| Exact Mass |
250.894
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| CAS # |
4916-55-6
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| PubChem CID |
12707037
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
265.2ºC at 760 mmHg
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| Melting Point |
150-155ºC(lit.)
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| Flash Point |
114.2ºC
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| LogP |
2.934
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
65.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC([H])([H])C1=C([H])N=C([H])C([H])=C1[H].Br[H]
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| InChi Key |
FNHPUOJKUXFUKN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
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| Chemical Name |
3-(bromomethyl)pyridine;hydrobromide
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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 | 3.9537 mL | 19.7683 mL | 39.5366 mL | |
| 5 mM | 0.7907 mL | 3.9537 mL | 7.9073 mL | |
| 10 mM | 0.3954 mL | 1.9768 mL | 3.9537 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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