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| Targets |
2-(Chloromethyl)pyridine hydrochloride is used as a reagent in the synthesis of thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging. As a synthetic intermediate, it does not have specific biological targets. The chloromethyl group is a versatile handle for nucleophilic substitution reactions, allowing the introduction of various functional groups. The pyridine ring provides aromatic character and the ability to coordinate metal ions. The compound's derivatives may interact with metal ions and other targets, enabling sensing and imaging applications.
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| ln Vitro |
In vitro, 2-(chloromethyl)pyridine hydrochloride is used as a biochemical reagent and organic compound. It is used as a reagent in the synthesis of thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging. It is also used as a reagent in base catalyzed alkylation reactions. Cellular assays are typically performed on the final fluorescent chemosensors synthesized from this reagent. The compound's reactivity allows for various chemical transformations, making it valuable for sensor development and chemical synthesis.
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| ln Vivo |
In vivo data for 2-(chloromethyl)pyridine hydrochloride 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, fluorescent chemosensors synthesized using this reagent may be used for in vivo imaging applications. The compound's primary value lies in its use as a synthetic intermediate for preparing sensors and other functional materials. Specific in vivo data for the parent compound is not available.
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| Enzyme Assay |
In vitro assays for 2-(chloromethyl)pyridine hydrochloride typically involve its use as a reagent in the synthesis of fluorescent chemosensors. A typical assay involves reacting the compound with thiourea or other nucleophiles to prepare chemosensors. The compound is dissolved in organic solvents such as DMF or ethanol. The resulting chemosensors are evaluated for their ability to detect metal ions in aqueous solutions. Fluorescence spectroscopy is used to measure changes in fluorescence intensity upon addition of metal ions. Selectivity and sensitivity are determined.
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| Cell Assay |
Cellular assays for 2-(chloromethyl)pyridine hydrochloride derivatives typically evaluate their use as fluorescent chemosensors for cellular imaging. A standard protocol involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells are incubated with synthesized chemosensors at varying concentrations. Cellular uptake and fluorescence are assessed using fluorescence microscopy or flow cytometry. The ability of the chemosensors to detect metal ions in cells is evaluated. Cytotoxicity is assessed using MTT or similar assays.
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| Animal Protocol |
In vivo animal studies for 2-(chloromethyl)pyridine hydrochloride are not standard, as it is primarily a synthetic intermediate and research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to evaluating fluorescent chemosensors synthesized using this reagent for in vivo imaging applications. The compound's primary value lies in its use as a synthetic intermediate. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Pyridine and its alkyl derivatives can be absorbed via the gastrointestinal tract, peritoneum, and lungs. Peritoneal absorption appears to be only slightly faster and more complete than gastrointestinal absorption… Generally, these bases can be rapidly absorbed through intact skin. /Pyridine Alkyl Derivatives/ Pharmacokinetic data for 2-(chloromethyl)pyridine hydrochloride is limited, as it is primarily a research reagent. The compound has a molecular weight of 164.03 g/mol and a molecular formula of C₆H₇Cl₂N. It is a solid at room temperature and is stored in a dry, cool place. As a chloromethylpyridine, it may undergo metabolic dehalogenation and oxidation. The compound is hygroscopic and should be stored protected from moisture. Specific ADME data is not available. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Oral LD50 in rats: 316 mg/kg Oral LD50 in mice: 316 mg/kg 2-(Chloromethyl)pyridine hydrochloride may cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. It causes irritation of the mucous membrane and upper respiratory tract. 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 away from incompatible materials. |
| Additional Infomation |
2-(chloromethyl)pyridine hydrochloride is a grayish-white, lumpy solid. (NTP, 1992)
2-(chloromethyl)pyridine hydrochloride is a hydrochloride prepared by reacting 2-(chloromethyl)pyridine with an equimolar amount of hydrochloric acid. It is a hydrochloride and pyridinium salt containing the 2-(chloromethyl)pyridinium ion. 2-(Chloromethyl)pyridine hydrochloride (2-Picolyl chloride hydrochloride, CAS 6959-47-3) is a biochemical reagent with the molecular formula C₆H₇Cl₂N. It is used as a reagent in the synthesis of thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging and as a reagent in alkylation reactions. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. |
| Molecular Formula |
C6H7CL2N
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|---|---|
| Molecular Weight |
164.03
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| Exact Mass |
162.995
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| CAS # |
6959-47-3
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| Related CAS # |
4377-33-7 (Parent)
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| PubChem CID |
23392
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| Appearance |
White to yellow solid powder
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| Density |
0.944g/cm
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| Boiling Point |
187.3ºC at 760 mmHg
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| Melting Point |
257 to 261 °F (NTP, 1992)
; 166-173 °C
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| Flash Point |
83.7ºC
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| Index of Refraction |
1.499-1.501
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| LogP |
2.622
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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 |
Cl.ClCC1=NC=CC=C1
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| InChi Key |
JPMRGPPMXHGKRO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
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| Chemical Name |
2-(chloromethyl)pyridine;hydrochloride
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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 | 6.0964 mL | 30.4822 mL | 60.9645 mL | |
| 5 mM | 1.2193 mL | 6.0964 mL | 12.1929 mL | |
| 10 mM | 0.6096 mL | 3.0482 mL | 6.0964 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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