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| Targets |
2-Chloro-4-methylpyridine is a synthetic intermediate used in pharmaceutical synthesis. As a building block, it does not have specific biological receptors as its primary targets. The compound is the direct precursor to 3-amino-2-chloro-4-methylpyridine (CAPIC), which is a critical building block for the HIV drug Nevirapine. The compound is also used as a reagent in the synthesis of mGLUR5 modulators, imidazolyl-ethynyl-pyridines, as potential antipsychotics. The chlorine substituent provides a handle for nucleophilic aromatic substitution, enabling diverse derivatization for drug discovery.
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| ln Vitro |
In vitro, 2-chloro-4-methylpyridine is used as a biochemical reagent and organic compound for biomedical research. It is used as a reagent in the synthesis of mGLUR5 modulators, imidazolyl-ethynyl-pyridines, as potential antipsychotics. The compound is the direct precursor to 3-amino-2-chloro-4-methylpyridine (CAPIC), a critical building block for Nevirapine. Cellular assays are typically performed on the final compounds synthesized from this building block rather than on the building block itself. The compound's reactivity allows for various chemical transformations, making it valuable for drug discovery and medicinal chemistry.
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| ln Vivo |
In vivo data for 2-chloro-4-methylpyridine 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 therapeutic applications. However, Nevirapine and other pharmaceuticals synthesized using this intermediate have well-established in vivo activities. The compound's primary value lies in its use as a synthetic intermediate for preparing HIV drugs and other pharmaceuticals. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic agent itself.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 2-chloro-4-methylpyridine are not typically performed, as it is primarily a synthetic intermediate. The compound is used as a building block in organic synthesis to prepare Nevirapine, mGLUR5 modulators, and other pharmaceuticals. A typical assay involves using the compound in chemical reactions, including nucleophilic aromatic substitution and amination. The compound is dissolved in organic solvents such as ethanol or DMSO. The resulting products can be evaluated for biological activity. Enzyme inhibition or receptor binding assays can be performed on the final synthesized compounds. IC₅₀ or binding affinity values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 2-chloro-4-methylpyridine are not standard, as the compound is primarily a synthetic intermediate. The compound is used in the preparation of Nevirapine and mGLUR5 modulators. A typical protocol for evaluating the biological activity of synthesized compounds involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. For HIV drugs, antiviral activity is assessed in infected cells. For antipsychotics, receptor binding and signaling assays are performed. Cells are treated with synthesized compounds at varying concentrations. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 2-chloro-4-methylpyridine 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 pharmaceuticals synthesized using this building block, such as Nevirapine. These studies would evaluate efficacy, pharmacokinetics, and safety in appropriate animal models. The compound's primary value lies in its use as a synthetic intermediate for preparing various drugs.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-chloro-4-methylpyridine is limited, as it is primarily a research reagent. The compound has a molecular weight of 127.57 g/mol and a molecular formula of C₆H₆ClN. It is a liquid at room temperature with a boiling point of 99°C at 30 mmHg. It has a flash point of 90°C. As a chlorinated pyridine, it may undergo metabolic dehalogenation and oxidation. Specific ADME data is not available. The compound is stored at room temperature in a dry, cool place.
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| Toxicity/Toxicokinetics |
2-Chloro-4-methylpyridine 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 away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain. The compound is a liquid and may be flammable.
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| Additional Infomation |
2-Chloro-4-methylpyridine (2-Chloro-4-picoline, CAS 3678-62-4) is a biochemical reagent with the molecular formula C₆H₆ClN. It is a halogenated heterocycle used as a synthetic intermediate for the HIV drug Nevirapine and mGLUR5 modulators. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It 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. Its applications are limited to research and chemical synthesis.
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| Molecular Formula |
C6H6CLN
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| Molecular Weight |
127.57
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| Exact Mass |
127.018
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| CAS # |
3678-62-4
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| PubChem CID |
77248
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
195.3±20.0 °C at 760 mmHg
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| Flash Point |
89.6±7.4 °C
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| Vapour Pressure |
0.6±0.4 mmHg at 25°C
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| Index of Refraction |
1.527
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| LogP |
1.86
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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 |
C1=C(C)C=CN=C1Cl
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| InChi Key |
MZVSTDHRRYQFGI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
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| Chemical Name |
2-chloro-4-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 | 7.8388 mL | 39.1942 mL | 78.3883 mL | |
| 5 mM | 1.5678 mL | 7.8388 mL | 15.6777 mL | |
| 10 mM | 0.7839 mL | 3.9194 mL | 7.8388 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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