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| Other Sizes |
| Targets |
2,6-Dichloronicotinic acid does not have a defined biological target as a therapeutic agent. It is a chemical building block used in organic synthesis and drug discovery. The compound may be used in the synthesis of various bioactive molecules, including pharmaceuticals, where its biological activity would be determined by the final molecules into which it is incorporated. It is not characterized for direct pharmacological effects.
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| ln Vitro |
Specific in vitro activity data for 2,6-Dichloronicotinic acid as a pharmacological agent are not documented in the literature, as it is primarily used as a chemical intermediate. Its derivatives may exhibit various biological activities depending on their specific structures. However, the parent compound itself is not characterized for direct biological effects such as enzyme inhibition or receptor modulation.
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| ln Vivo |
2,6-Dichloronicotinic acid is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as a chemical building block in organic synthesis and medicinal chemistry research. The compound is not intended to be administered to animals for pharmacological or toxicological studies. Its derivatives may be evaluated in vivo depending on their therapeutic targets.
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| Enzyme Assay |
As a chemical building block, 2,6-Dichloronicotinic acid is not used in enzyme/receptor binding assays. Its role is in the synthesis of compounds that may be evaluated in such assays. When used in research, it serves as a starting material for the preparation of various pyridine derivatives through functionalization reactions. Standard synthetic chemistry protocols are employed for its use.
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| Cell Assay |
2,6-Dichloronicotinic acid is not used in cell-based assays as a test compound. Its primary application is as a chemical building block for the synthesis of more complex molecules. The compound's derivatives may be evaluated in cell-based assays for various biological activities, but the parent compound itself is not characterized for direct cellular effects.
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| Animal Protocol |
2,6-Dichloronicotinic acid is not used in animal studies as a pharmacological agent. Its primary application is as a chemical building block in organic synthesis and medicinal chemistry. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives may be evaluated in animal models depending on their therapeutic targets.
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| ADME/Pharmacokinetics |
2,6-Dichloronicotinic acid has a molecular weight of 192.00 g/mol and a molecular formula of C₆H₃Cl₂NO₂. It is a white to off-white crystalline solid. The compound is used as a building block in organic synthesis and medicinal chemistry. It is typically stored under standard laboratory conditions at room temperature, protected from moisture and light. It is soluble in organic solvents such as ethanol, methanol, and dichloromethane.
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| Toxicity/Toxicokinetics |
2,6-Dichloronicotinic acid is intended for research use only and is not approved for human therapeutic applications. As a chemical building block, comprehensive toxicological data are not available in the publicly accessible literature. The compound may cause skin, eye, and respiratory tract irritation upon exposure. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
2,6-Dichloronicotinic acid is an aromatic carboxylic acid belonging to the pyridine class of compounds. 2,6-Dichloronicotinic acid has been reported in Arabidopsis thaliana, and relevant data are available for reference.
2,6-Dichloronicotinic acid (CAS#: 38496-18-3) has a molecular formula of C₆H₃Cl₂NO₂ and a molecular weight of 192.00 g/mol. It is a chlorinated pyridinecarboxylic acid used as a building block in organic synthesis and medicinal chemistry. This compound is not a drug and has not undergone clinical trials. |
| Molecular Formula |
C6H3CL2NO2
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|---|---|
| Molecular Weight |
192.00
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| Exact Mass |
190.954
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| CAS # |
38496-18-3
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| PubChem CID |
854047
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
351.2±37.0 °C at 760 mmHg
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| Melting Point |
140-143 °C(lit.)
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| Flash Point |
166.2±26.5 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
1.21
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
165
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(=O)C1=CC=C(Cl)N=C1Cl
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| InChi Key |
AJPKQSSFYHPYMH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
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| Chemical Name |
2,6-dichloropyridine-3-carboxylic acid
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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) |
DMSO: ~100 mg/mL (~520.8 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.02 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (13.02 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.02 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2083 mL | 26.0417 mL | 52.0833 mL | |
| 5 mM | 1.0417 mL | 5.2083 mL | 10.4167 mL | |
| 10 mM | 0.5208 mL | 2.6042 mL | 5.2083 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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