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| Other Sizes |
| Targets |
HTBA targets various biological pathways involved in inflammation, tumor growth, and oxidative stress. As a halogenated benzoic acid derivative, it exhibits anti-inflammatory, anti-tumor, and anti-oxidant activities. The compound's mechanism of action involves modulation of inflammatory mediators and oxidative stress pathways. HTBA is also used as a biochemical reagent and important intermediate in organic chemistry research. Its applications extend to medical, environmental, and industrial research.
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| ln Vitro |
In vitro, HTBA exhibits anti-inflammatory, anti-tumor, and anti-oxidant properties. The compound is used as a biochemical reagent and important intermediate in life science and organic chemistry research. HTBA has been evaluated for its effects on inflammatory mediators, tumor cell proliferation, and oxidative stress markers in various cell-based assays. Its anti-inflammatory activity may involve inhibition of pro-inflammatory cytokine production. The compound's antioxidant activity is assessed by measuring free radical scavenging能力.
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| ln Vivo |
In vivo, HTBA has been studied for its anti-inflammatory, anti-tumor, and anti-oxidant effects. The compound is used in medical, environmental, and industrial research. It is also used as a low-cost enzymatic paper-based analytical device for determining urine creatinine. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic properties. The compound is typically administered orally or via injection in preclinical studies.
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| Enzyme Assay |
HTBA enzyme assays involve measuring its anti-inflammatory, anti-tumor, and anti-oxidant activities. Anti-inflammatory activity is assessed by measuring inhibition of pro-inflammatory cytokine production (e.g., TNF-α, IL-6) in cell-free systems. Anti-tumor activity is evaluated by assessing inhibition of tumor cell proliferation or induction of apoptosis. Antioxidant activity is measured using DPPH, ABTS, or other free radical scavenging assays. For creatinine detection applications, enzymatic paper-based analytical devices are used. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
HTBA cell-based assays are conducted in various cell lines including inflammatory cells, cancer cells, and other relevant cell types. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with HTBA at varying concentrations. Cell viability is assessed by MTT or CCK-8 assays. Inflammatory markers are measured by ELISA. Anti-tumor activity is evaluated by assessing cell proliferation and apoptosis. Antioxidant activity is assessed by measuring intracellular ROS levels. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
HTBA in vivo studies are conducted in rodent models of inflammation, cancer, and oxidative stress. Animals are treated with HTBA via oral administration or injection. Disease progression is monitored by appropriate endpoints. For anti-inflammatory studies, animal models of inflammation such as carrageenan-induced paw edema may be used. For anti-tumor studies, tumor-bearing mice may be used. For creatinine detection applications, urine samples are analyzed using enz-PAD devices. Dosing regimens are optimized based on pharmacokinetic data. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biomarker analysis.
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| ADME/Pharmacokinetics |
HTBA (MW 515.81 g/mol, C7H3I3O3) is a halogenated benzoic acid derivative. The compound is an off-white to yellow powder. It is soluble in DMSO and other organic solvents. HTBA is stable as a powder at -20°C for up to 3 years and in solvent at -80°C for 1 year. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. The compound is typically used as a biochemical reagent and intermediate in research applications.
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| Toxicity/Toxicokinetics |
HTBA has acute toxicity Category 4 classification with H302 (Harmful if swallowed), H315 (Causes skin irritation), H318 (Causes serious eye damage), and H335 (May cause respiratory irritation). The compound is a halogenated benzoic acid derivative that requires careful handling with appropriate personal protective equipment. No significant adverse effects have been reported in the available literature at research-use concentrations beyond the hazard classifications. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| Additional Infomation |
HTBA (3-Hydroxy-2,4,6-triiodobenzoic acid) is a halogenated benzoic acid derivative with anti-inflammatory, anti-tumor, and anti-oxidant properties. It is a biochemical reagent and important intermediate used in life science and organic chemistry research. HTBA is also used as a low-cost enzymatic paper-based analytical device for determining urine creatinine. The compound has applications in medical, environmental, and industrial research. All applications are limited to non-human research use.
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| Molecular Formula |
C7H3O3I3
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|---|---|
| Molecular Weight |
515.80892
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| Exact Mass |
515.721
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| CAS # |
53279-72-4
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| PubChem CID |
96627
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| Appearance |
Light yellow to brown solid powder
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| Density |
3.1±0.1 g/cm3
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| Boiling Point |
389.2±42.0 °C at 760 mmHg
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| Melting Point |
211-215°C
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| Flash Point |
189.2±27.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.840
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| LogP |
2.46
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
13
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| Complexity |
211
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GIAVHGFPMPSIFI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
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| Chemical Name |
3-hydroxy-2,4,6-triiodobenzoic 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 : ≥ 33 mg/mL (~63.98 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.03 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 20.8 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: ≥ 2.08 mg/mL (4.03 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 20.8 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: ≥ 2.08 mg/mL (4.03 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 | 1.9387 mL | 9.6935 mL | 19.3870 mL | |
| 5 mM | 0.3877 mL | 1.9387 mL | 3.8774 mL | |
| 10 mM | 0.1939 mL | 0.9693 mL | 1.9387 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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