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| Other Sizes |
| Targets |
2-Iodobenzoic acid does not have a single well-defined pharmacological target but has been investigated for its ability to inhibit acetylcholinesterase activity. Inhibition of acetylcholinesterase may lead to increased levels of acetylcholine and inhibition of muscle contractions. It also targets the thyroid. As a biochemical reagent, it is used in various research applications rather than as a therapeutic agent with a specific molecular target.
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| ln Vitro |
2-Iodobenzoic acid is a synthetic intermediate produced by Dess-Martin periodinane that is shock-sensitive.
In vitro, 2-iodobenzoic acid is used as a biochemical reagent for life science related research. It has been investigated for its ability to inhibit acetylcholinesterase activity. The compound's use in the treatment of wastewater has also been studied. Its in vitro properties as a halogenated benzoic acid derivative have been characterized in various biochemical assays. |
| ln Vivo |
In vivo, 2-iodobenzoic acid is not used as a therapeutic drug but has been investigated for its use as a contraceptive due to its ability to inhibit acetylcholinesterase activity. As a biochemical reagent, it is not intended for human therapeutic use. Its primary applications are in research and chemical synthesis. The compound is harmful by ingestion.
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| Enzyme Assay |
In non-cell-based biochemical assays, 2-iodobenzoic acid is evaluated using standard biochemical methods. Its purity is assessed using HPLC (98%). Its solubility in dimethyl sulfoxide and methanol is characterized. The compound's ability to inhibit acetylcholinesterase is assessed using enzyme assays with purified enzyme and chromogenic or fluorogenic substrates. Its role as an intermediate in Dess-Martin periodinane synthesis is characterized using chemical analysis methods.
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| Cell Assay |
In vitro cellular assays for 2-iodobenzoic acid involve testing its effects on cultured cells. The compound's ability to inhibit acetylcholinesterase may be assessed in cell-based assays using neuronal cell lines or erythrocyte membranes. Its effects on cell viability and proliferation may also be evaluated. However, specific cellular assay data are limited, as 2-iodobenzoic acid is primarily used as a chemical reagent rather than a bioactive compound for cellular studies.
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| Animal Protocol |
In vivo animal studies for 2-iodobenzoic acid have not been extensively reported, as the compound is primarily used as a chemical intermediate and research reagent. When studied, it is typically administered to animals to assess its metabolism, excretion, and potential toxicity. The compound's use as a contraceptive has been investigated. However, specific protocols and data are limited in publicly available sources.
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| ADME/Pharmacokinetics |
2-Iodobenzoic acid has a molecular weight of 248.02 and a molecular formula of C7H5IO2. It is soluble in dimethyl sulfoxide and methanol. The compound is sensitive to moisture, light, and air. It has a melting point of 160-164°C. The compound is a skin and strong eye irritant. It is typically stored under inert conditions to maintain stability.
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| Toxicity/Toxicokinetics |
2-Iodobenzoic acid is a skin and strong eye irritant and is harmful by ingestion. It targets the thyroid. The compound should be handled with appropriate safety precautions, including the use of personal protective equipment. It should be stored and handled in accordance with standard laboratory safety guidelines for halogenated benzoic acids. Comprehensive toxicology studies have not been extensively published.
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| Additional Infomation |
2-Iodobenzoic acid is formed by attaching an iodine atom to the 2-position of iodobenzoic acid. It is both iodobenzoic acid and 2-halobenzoic acid. It is the conjugate acid of 2-iodobenzoic acid ester.
2-Iodobenzoic acid (o-Iodobenzoic acid) is a biochemical compound used as a biomaterial or organic/chemical reagent for biomedical research. It is the impact-sensitive intermediate in the synthesis of the Dess-Martin periodinane. The compound has been investigated for its ability to inhibit acetylcholinesterase activity and for its use as a contraceptive. It is not an approved drug and is intended for research use only. |
| Molecular Formula |
C7H5IO2
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|---|---|
| Molecular Weight |
248.02
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| Exact Mass |
247.933
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| CAS # |
88-67-5
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| Related CAS # |
2532-17-4 (mono-hydrochloride salt)
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| PubChem CID |
6941
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| Appearance |
Off-white to gray solid powder
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| Density |
2.0±0.1 g/cm3
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| Boiling Point |
337.2±25.0 °C at 760 mmHg
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| Melting Point |
160-162 °C(lit.)
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| Flash Point |
157.7±23.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.666
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| LogP |
3.11
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| Hydrogen Bond Donor Count |
1
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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 |
136
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C(I)=CC=CC=1)O
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| InChi Key |
CJNZAXGUTKBIHP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
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| Chemical Name |
2-Iodobenzoic acid
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| Synonyms |
2Iodobenzoic acid2-Iodobenzoic acid 2 Iodobenzoic acid Kyselina o-jodbenzoovao-Iodobenzoic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~403.19 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.08 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 (10.08 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 (10.08 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 | 4.0319 mL | 20.1597 mL | 40.3193 mL | |
| 5 mM | 0.8064 mL | 4.0319 mL | 8.0639 mL | |
| 10 mM | 0.4032 mL | 2.0160 mL | 4.0319 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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