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| Other Sizes |
| Targets |
2-Bromo-3-methylpyridine does not have a defined primary drug target as it is a chemical reagent and synthetic building block rather than a therapeutic agent. Pyridine derivatives are important pharmacophores in medicinal chemistry, found in numerous drugs with diverse activities including antimicrobial, anti-inflammatory, anticancer, and CNS-active properties. The bromine atom provides a handle for cross-coupling reactions to introduce various substituents. The methyl group at the 3-position provides steric and electronic modulation. Compounds synthesized using this reagent as a building block may target various enzymes or receptors.
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| ln Vitro |
As a synthetic reagent, 2-Bromo-3-methylpyridine is not typically evaluated for direct in vitro biological activity against specific molecular targets. Pyridine derivatives in general have been extensively studied for their biological activities, but the parent compound is used primarily as a chemical tool rather than a bioactive molecule. Its activity in biological assays would depend on the specific context and concentration, and any observed effects are generally considered incidental rather than the intended purpose of the compound.
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| ln Vivo |
In vivo activity data for 2-Bromo-3-methylpyridine itself is not available, as the compound is not intended for therapeutic use. Drug candidates synthesized using 2-bromo-3-methylpyridine as a building block may be evaluated in animal models for various indications, but the biological activity is attributed to the final drug molecule rather than the bromopyridine reagent. The compound's primary applications remain in chemical synthesis as a versatile building block for pyridine-based drug discovery.
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| Enzyme Assay |
Cell-free biochemical assays involving 2-Bromo-3-methylpyridine typically focus on its use as a synthetic reagent in cross-coupling reactions. A standard protocol for Suzuki-Miyaura coupling involves mixing 2-bromo-3-methylpyridine with a boronic acid or boronic ester, a palladium catalyst (e.g., Pd(PPh₃)₄ or PdCl₂(dppf)), and a base (e.g., K₂CO₃ or Na₂CO₃) in an appropriate solvent such as THF, dioxane, or DMF/water mixture. The reaction is typically heated to 80-100°C for several hours under inert atmosphere. Alternatively, the compound can be used in Buchwald-Hartwig amination or other cross-coupling reactions. Reactions are monitored by TLC or GC-MS and products are characterized by NMR and mass spectrometry.
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| Cell Assay |
Cell-based assays are not typically performed with 2-Bromo-3-methylpyridine as the compound is a chemical reagent rather than a drug candidate. For pyridine derivatives synthesized from this reagent, standard cell-based protocols would apply depending on the target indication. For example, cancer cell lines may be treated with the synthesized compound at various concentrations for 24-72 hours, and cell viability assessed by MTT or CellTiter-Glo assays. The bromopyridine reagent itself may be used as a control.
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| Animal Protocol |
In vivo studies are not typically conducted with 2-Bromo-3-methylpyridine itself. For drug candidates synthesized using this reagent, standard in vivo efficacy studies involve rodent models of the target disease. A typical protocol includes oral or intravenous administration of the test compound at various doses, with monitoring of disease progression through appropriate endpoints. The pyridine core is a privileged scaffold in medicinal chemistry, and many pyridine-containing drugs have been developed for various therapeutic areas.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for 2-Bromo-3-methylpyridine is not available. The compound's molecular weight is 172.02 g/mol. The compound is a liquid at room temperature with a density of 1.544 g/mL. For drug molecules synthesized from this reagent, ADME properties depend on the final structure. The pyridine core generally confers favorable physicochemical properties for drug development, including moderate polarity and hydrogen bonding capability.
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| Toxicity/Toxicokinetics |
Toxicological data specific to 2-Bromo-3-methylpyridine is limited. As with all halogenated heterocycles and chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound may cause irritation upon skin or eye contact, and inhalation of vapors should be avoided. For drug candidates synthesized using this reagent, comprehensive toxicological evaluation is required as part of the drug development process.
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| Additional Infomation |
2-Bromo-3-methylpyridine is a research chemical and synthetic reagent rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a versatile building block in organic synthesis for the preparation of pyridine derivatives and other heterocyclic compounds. The bromine atom at the 2-position enables diverse functionalization through cross-coupling reactions. The pyridine core is a privileged scaffold in medicinal chemistry, and 2-bromo-3-methylpyridine is a valuable intermediate for drug discovery.
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| Molecular Formula |
C6H6BRN
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|---|---|
| Molecular Weight |
172.02
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| Exact Mass |
170.968
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| CAS # |
3430-17-9
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| PubChem CID |
220832
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
215.3±20.0 °C at 760 mmHg
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| Flash Point |
84.0±21.8 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.553
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| LogP |
1.99
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
74.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=CN=C1Br
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| InChi Key |
PZSISEFPCYMBDL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
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| Chemical Name |
2-bromo-3-methylpyridine
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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 | 5.8133 mL | 29.0664 mL | 58.1328 mL | |
| 5 mM | 1.1627 mL | 5.8133 mL | 11.6266 mL | |
| 10 mM | 0.5813 mL | 2.9066 mL | 5.8133 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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