| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
3-Chloro-6-methylpyridazine does not have a defined biological target as a standalone compound, but it is used in the synthesis of integrase inhibiting antiviral agents. Integrase is an enzyme essential for HIV replication, and its inhibition is a key strategy in antiretroviral therapy. The compound is also used in the synthesis of a p38 MAP kinase inhibitor with therapeutic potential in the treatment of autoimmune and inflammatory diseases. The pyridazine scaffold can interact with various biological targets through hydrogen bonding and hydrophobic interactions. The compound itself is not evaluated for biological activity against specific targets.
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| ln Vitro |
As a chemical reagent, 3-chloro-6-methylpyridazine exhibits no intrinsic pharmacological activity in vitro. Its utility is demonstrated in the preparation of heterocyclic compounds as integrase inhibiting antiviral agents and in the synthesis of a p38 MAP kinase inhibitor for autoimmune and inflammatory diseases. The compound can undergo nickel-catalyzed cross-coupling reactions with aromatic and heteroaromatic halides to give substituted aryl- and heteroaryl pyridazines. In cell-based assays, the compound itself is not tested for biological activity. Instead, the products synthesized from this reagent are evaluated for their pharmacological properties.
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| ln Vivo |
3-Chloro-6-methylpyridazine does not exhibit in vivo biological activity as it is not a therapeutic agent. The compound is used as a building block in the synthesis of antiviral and anti-inflammatory drug candidates. Any in vivo effects would be associated with the final products synthesized from this intermediate, not with the intermediate itself. The compound is not administered to animals in pharmacological studies and has no known physiological effects. Its role is strictly chemical—providing a versatile chloromethylpyridazine scaffold for constructing complex molecules.
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| Enzyme Assay |
In vitro enzyme assays for 3-chloro-6-methylpyridazine derivatives typically involve integrase inhibition studies for antiviral applications or p38 MAP kinase inhibition studies for anti-inflammatory applications. A standard protocol for kinase inhibition uses purified p38 MAP kinase incubated with a peptide substrate and ATP in the presence of varying concentrations of the test compound. Phosphorylation is measured by ELISA or radiometric methods. IC₅₀ values are calculated from dose-response curves. For synthetic applications, the compound undergoes nickel-catalyzed cross-coupling reactions with aryl halides.
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| Cell Assay |
In vitro cell culture experiments with 3-chloro-6-methylpyridazine derivatives typically involve antiviral assays or anti-inflammatory assays. For antiviral studies, cells infected with HIV are treated with compounds at concentrations ranging from 0.1-100 µM, and viral replication is measured by p24 antigen production. For anti-inflammatory studies, immune cells (e.g., macrophages) are stimulated with LPS and treated with compounds, and cytokine production (TNF-α, IL-6) is measured by ELISA. Cell viability is assessed using MTT assays. The intermediate itself is typically not tested in cellular systems; rather, the final products are evaluated.
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| Animal Protocol |
In vivo animal studies are not conducted with 3-chloro-6-methylpyridazine itself, as it is a research reagent for chemical synthesis. When the compound is used to synthesize drug candidates (e.g., integrase inhibitors or p38 MAP kinase inhibitors), those final products undergo standard preclinical evaluation. Typical protocols for drug candidates include pharmacokinetic studies in rodents (oral or intravenous administration, blood sampling for LC-MS/MS analysis), efficacy studies in disease models, and toxicology studies. These studies evaluate the safety and efficacy of the final drug molecules, not the synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-chloro-6-methylpyridazine are not characterized as it is not a drug substance. Based on its physicochemical properties (molecular weight 128.56, logP approximately 1.5-2.0), the compound would be expected to have moderate oral bioavailability if administered. It would likely undergo metabolism via cytochrome P450-mediated oxidation and conjugation reactions. However, the compound is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies. For drug candidates synthesized from this intermediate, pharmacokinetic properties are determined as part of drug development.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-chloro-6-methylpyridazine are limited as it is a research reagent. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored under inert atmosphere at 2-8°C. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| Additional Infomation |
3-Chloro-6-methylpyridazine is a type of pyridazine compound.
3-Chloro-6-methylpyridazine is a versatile building block in medicinal chemistry for the synthesis of integrase inhibiting antiviral agents and p38 MAP kinase inhibitors for autoimmune and inflammatory diseases. It has also been shown to have neuroprotective effects. The compound undergoes nickel-catalyzed cross-coupling reactions with aromatic and heteroaromatic halides. It has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is chemical—serving as a precursor for the synthesis of biologically active pyridazine derivatives. |
| Molecular Formula |
C5H5CLN2
|
|---|---|
| Molecular Weight |
128.56
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| Exact Mass |
128.014
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| CAS # |
1121-79-5
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| PubChem CID |
227254
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
257.9±20.0 °C at 760 mmHg
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| Melting Point |
50 °C
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| Flash Point |
134.7±7.4 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.530
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| LogP |
0.56
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
76.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=NN=C(Cl)C=C1
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| InChi Key |
PRORLQAJNJMGAR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
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| Chemical Name |
3-chloro-6-methylpyridazine
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
DMSO: 100 mg/mL (777.85 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (19.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.7785 mL | 38.8923 mL | 77.7847 mL | |
| 5 mM | 1.5557 mL | 7.7785 mL | 15.5569 mL | |
| 10 mM | 0.7778 mL | 3.8892 mL | 7.7785 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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