| Size | Price | |
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| Other Sizes |
Purity: ≥98%
| Targets |
Biochemical reagent t
2,6-Dichloroisonicotinic acid does not have a defined pharmacological target of its own, as it is a synthetic intermediate rather than a drug substance. However, it is a derivative of isonicotinic acid, and isonicotinic acid derivatives are known to have various biological activities, including antimicrobial and anti-inflammatory properties. The compound is used as a building block in the synthesis of more complex molecules that may target specific enzymes or receptors. |
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| ln Vitro |
2,6-dichloroisonicotinic acid is a member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6. It has a role as an EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor. It is an organochlorine compound, a monocarboxylic acid and a member of pyridines.
2,6-Dichloroisonicotinic acid has been reported in Phaseolus vulgaris. In vitro, 2,6-Dichloroisonicotinic acid is primarily used as a chemical reagent and synthetic intermediate rather than being evaluated for direct biological activity. It is employed in the synthesis of various pharmaceutical compounds that are subsequently tested in in vitro assays. The compound is soluble in methanol, making it suitable for use in solution-phase organic synthesis and medicinal chemistry workflows. As a chlorinated pyridinecarboxylic acid, it is a common building block for the construction of drug-like molecules. |
| ln Vivo |
In vivo activity data for 2,6-Dichloroisonicotinic acid itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from it.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 2,6-Dichloroisonicotinic acid is not typically evaluated as a test compound itself. Instead, it serves as a reagent for the synthesis of test compounds. The compound's properties include a molecular weight of 192.00 g/mol and a predicted pKa of 2.63±0.10. The two chlorine atoms and the carboxylic acid group provide functional handles for further derivatization in structure-activity relationship studies.
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| Cell Assay |
For in vitro cell-based experiments, 2,6-Dichloroisonicotinic acid is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 2,6-Dichloroisonicotinic acid are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints. Specific protocols for the intermediate compound are not documented.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,6-Dichloroisonicotinic acid as a standalone compound are not characterized in the literature, as it is a synthetic intermediate rather than a drug candidate. The compound has a molecular weight of 192.00 g/mol, which is within the favorable range for oral bioavailability. The presence of the carboxylic acid group suggests potential for ionization and possible renal excretion. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
2,6-Dichloroisonicotinic acid is classified as an irritant with hazard code Xi. Risk statements include R36/37/38: Irritating to eyes, respiratory system and skin. Safety statements recommend S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. GHS hazard statements include H315: Causes skin irritation and H319: Causes serious eye irritation. The compound should be stored in a cool, dark place, preferably below 15°C.
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| References |
[1]. https://pubchem.ncbi.nlm.nih.gov/compound/94830
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| Additional Infomation |
2,6-Dichloroisonicotinic acid (DICA) belongs to the pyridine class of compounds and is a compound formed by the substitution of isonicotinic acid with chlorine at the 2 and 6 positions. It is an EC 1.11.1.11 (L-ascorbic acid peroxidase) inhibitor. It is an organochlorine compound, a monocarboxylic acid, and also a pyridine compound.
Reports have indicated that DICA is present in common bean (Phaseolus vulgaris), and relevant data are available for reference. 2,6-Dichloroisonicotinic acid (CAS 5398-44-7) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in organic synthesis as a building block for the construction of more complex molecules. The compound is a derivative of isonicotinic acid and is used in the synthesis of various biologically active compounds. It is available with purity >98.0% from chemical suppliers. No clinical trials or approved indications exist for this compound. It is intended for laboratory research use only and not for human therapeutic or diagnostic applications. |
| Molecular Formula |
C6H3CL2NO2
|
|---|---|
| Molecular Weight |
192.00
|
| Exact Mass |
190.954
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| CAS # |
5398-44-7
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| PubChem CID |
94830
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| Appearance |
Typically exists as White to off-white solid at room temperature
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
437.8±40.0 °C at 760 mmHg
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| Melting Point |
209-212 °C(lit.)
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| Flash Point |
218.6±27.3 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.606
|
| LogP |
2.72
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
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| Complexity |
155
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1C([H])=C(C(=O)O[H])C([H])=C(N=1)Cl
|
| InChi Key |
SQSYNRCXIZHKAI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
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| Chemical Name |
2,6-dichloropyridine-4-carboxylic acid
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| Synonyms |
2,6-Dichloroisonicotinic acid; 5398-44-7; 2,6-Dichloropyridine-4-carboxylic acid; 2,6-Dichloro-4-pyridinecarboxylic acid; 2,6-Dichloro-isonicotinic acid; 4-Pyridinecarboxylic acid, 2,6-dichloro-; MFCD00234147; CHEBI:73179;
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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 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.) |
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| 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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