| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Iodobenzaldehyde does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As an iodinated aldehyde, it serves as a building block for the synthesis of various biologically active compounds. The iodine atom provides a handle for cross-coupling reactions, while the aldehyde enables condensation and reduction reactions.
|
|---|---|
| ln Vitro |
In vitro, 2-iodobenzaldehyde is primarily used as a chemical reagent and synthetic intermediate. It is a valuable building block for the synthesis of heterocycles and other organic compounds. The iodine atom enables cross-coupling reactions such as Suzuki-Miyaura and Sonogashira couplings, while the aldehyde group can undergo reductive amination, condensation, and oxidation reactions.
|
| ln Vivo |
In vivo activity data for 2-iodobenzaldehyde 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.
|
| Enzyme Assay |
For in vitro chemical synthesis, 2-iodobenzaldehyde is used as a building block for the preparation of various compounds. The iodine atom provides a handle for cross-coupling reactions. The aldehyde group can undergo reductive amination, condensation, and oxidation reactions. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
|
| Cell Assay |
For in vitro cell-based experiments, 2-iodobenzaldehyde 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.
|
| Animal Protocol |
In vivo animal studies using 2-iodobenzaldehyde 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.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-iodobenzaldehyde as a standalone compound are not characterized in the literature. The compound has a molecular weight of 232.02 g/mol, which is within the favorable range for oral bioavailability. The iodine atom may be subject to oxidative deiodination. The aldehyde may be oxidized by aldehyde dehydrogenase.
|
| Toxicity/Toxicokinetics |
2-Iodobenzaldehyde is a research chemical and should be handled with appropriate laboratory safety precautions. As an iodinated aldehyde, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values and acute toxicity classifications are not available.
|
| Additional Infomation |
2-Iodobenzaldehyde (o-Iodobenzaldehyde, CAS 26260-02-6) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for organic synthesis and as a biochemical reagent for biomedical research. No clinical trials or approved therapeutic indications exist.
|
| Molecular Formula |
C7H5IO
|
|---|---|
| Molecular Weight |
232.02
|
| Exact Mass |
231.938
|
| CAS # |
26260-02-6
|
| PubChem CID |
643439
|
| Appearance |
White to light yellow <36°C powder,>39°C liquid
|
| Density |
1.9±0.1 g/cm3
|
| Boiling Point |
266.3±23.0 °C at 760 mmHg
|
| Melting Point |
36-39 °C(lit.)
|
| Flash Point |
114.8±22.6 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.668
|
| LogP |
2.77
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
103
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=CC1=CC=CC=C1I
|
| InChi Key |
WWKKTHALZAYYAI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H
|
| Chemical Name |
2-iodobenzaldehyde
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~431.0 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.77 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 (10.77 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 (10.77 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 | 4.3100 mL | 21.5499 mL | 43.0997 mL | |
| 5 mM | 0.8620 mL | 4.3100 mL | 8.6199 mL | |
| 10 mM | 0.4310 mL | 2.1550 mL | 4.3100 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
