| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
3,5-Dichloroisonicotinaldehyde does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used to synthesize heteroaryl sulfonyl carboxamides with heteroaryl sulfonamides. The compound serves as an important intermediate in the synthesis of various pharmaceutical agents, particularly in the development of anti-inflammatory and anti-cancer drugs.
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|---|---|
| ln Vitro |
In vitro, 3,5-dichloroisonicotinaldehyde is primarily used as a chemical reagent and synthetic intermediate. It is an aldehyde compound that can be used to synthesize heteroaryl sulfonyl carboxamides. As a chlorinated pyridinecarboxaldehyde, it is a common building block for the construction of drug-like molecules. It is also used as a pharmaceutical intermediate in the synthesis of other active compounds.
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| ln Vivo |
In vivo activity data for 3,5-dichloroisonicotinaldehyde 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, particularly anti-inflammatory and anti-cancer agents.
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| Enzyme Assay |
For in vitro chemical synthesis, 3,5-dichloroisonicotinaldehyde is used as a building block for the synthesis of heteroaryl sulfonyl carboxamides. Standard protocols involve reacting the aldehyde with heteroaryl sulfonamides under appropriate conditions. The compound can also be used in various other organic transformations, including reductive amination and condensation reactions. The aldehyde group provides a handle for further derivatization.
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| Cell Assay |
For in vitro cell-based experiments, 3,5-dichloroisonicotinaldehyde 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.
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| Animal Protocol |
In vivo animal studies using 3,5-dichloroisonicotinaldehyde are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For anti-inflammatory and anti-cancer agents derived from this building block, efficacy studies would typically be performed in mouse models of inflammation or cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,5-dichloroisonicotinaldehyde as a standalone compound are not characterized in the literature. The compound has a molecular weight of 176.00 g/mol, which is within the favorable range for oral bioavailability. The compound is a solid. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
3,5-Dichloroisonicotinaldehyde is a research chemical and should be handled with appropriate laboratory safety precautions. As a chlorinated aldehyde, it may cause skin and eye irritation. The compound should be stored under appropriate conditions. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment.
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| Additional Infomation |
3,5-Dichloroisonicotinaldehyde (3,5-Dichloro-4-pyridinecarboxaldehyde, CAS 136590-83-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in the synthesis of heteroaryl sulfonyl carboxamides and as an intermediate for pharmaceutical agents, particularly anti-inflammatory and anti-cancer drugs. The compound is also used as a pharmaceutical intermediate. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C6H3CL2NO
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|---|---|
| Molecular Weight |
176.00
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| Exact Mass |
174.959
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| CAS # |
136590-83-5
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| PubChem CID |
2762988
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
242.4±35.0 °C at 760 mmHg
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| Melting Point |
75-79ºC(lit.)
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| Flash Point |
100.4±25.9 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.608
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| LogP |
2.32
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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 |
1
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| Heavy Atom Count |
10
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=NC([H])=C(C=1C([H])=O)Cl
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| InChi Key |
RBFNWOINNIOZKR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
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| Chemical Name |
3,5-dichloropyridine-4-carbaldehyde
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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 (e.g. under nitrogen), 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 (568.18 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.20 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 (14.20 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 (14.20 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 | 5.6818 mL | 28.4091 mL | 56.8182 mL | |
| 5 mM | 1.1364 mL | 5.6818 mL | 11.3636 mL | |
| 10 mM | 0.5682 mL | 2.8409 mL | 5.6818 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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