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| Targets |
4-Formylbenzoic acid exhibits a range of bioactivities, including inhibition of Aldehyde Dehydrogenase 1 (ALDH1A1) and the malarial parasite plastid function, potential inhibition of the TGF-β pathway, and acting as a delayed death inhibitor of the malarial parasite plastid. The compound inhibits CoQ10 biosynthesis and exacerbates sodium aescinate-induced nephrotoxicity.
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| ln Vitro |
In vitro, 4-formylbenzoic acid is used as a chemical reagent and research tool. It exhibits a range of bioactivities, including inhibition of ALDH1A1 and malarial parasite plastid function. Derivatives of this compound have shown high bioactivity against staphylococci (MIC 3.91-31.25 µg/ml) and micrococci (MIC 0.98-15.62 µg/ml). It serves as a catalyst for biomedical hydrogels.
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| ln Vivo |
In vivo data for 4-formylbenzoic acid as a therapeutic agent are limited. The compound inhibits CoQ10 biosynthesis and exacerbates sodium aescinate-induced nephrotoxicity in vivo. Its potential as a delayed death inhibitor of the malarial parasite plastid suggests possible antimalarial applications. Specific in vivo pharmacokinetic and pharmacodynamic data are not well-documented.
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| Enzyme Assay |
For in vitro enzyme inhibition assays, 4-formylbenzoic acid is evaluated for ALDH1A1 inhibitory activity. Standard protocols involve incubating the compound with recombinant ALDH1A1 enzyme and measuring enzyme activity using a fluorogenic substrate. IC₅₀ values are calculated from dose-response curves. For antimicrobial assays, broth microdilution methods are used to determine MIC against various bacterial strains.
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| Cell Assay |
For in vitro cell-based experiments, 4-formylbenzoic acid can be evaluated for its effects on malarial parasite growth and for nephrotoxicity studies. Cells are treated with the compound at various concentrations and parasite growth or cell viability is assessed. The compound's potential to inhibit the TGF-β pathway can be studied using reporter gene assays.
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| Animal Protocol |
In vivo animal studies using 4-formylbenzoic acid are limited. The compound has been shown to exacerbate sodium aescinate-induced nephrotoxicity in animal models. For potential antimalarial candidates, efficacy studies would typically be performed in mouse models of malaria. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-formylbenzoic acid are not extensively characterized. The compound has a molecular weight of 150.13 g/mol, which is favorable for oral bioavailability. The aldehyde and carboxylic acid groups may influence metabolic stability and water solubility. As a small, polar molecule, it is expected to have reasonable membrane permeability. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
4-Formylbenzoic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a carboxylic acid and 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, 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 |
4-Formylbenzoic acid is a benzoic acid compound with a formyl group substituted at the 4-position of benzoic acid. It is a plant metabolite. It belongs to the benzaldehyde, benzoic acid, and monocarboxylic acid classes. It is the conjugate acid of 4-formylbenzoic acid esters. It has been reported that 4-formylbenzoic acid is present in Hibiscus taiwanensis, and relevant data are available for reference.
4-Formylbenzoic acid (Tetraphthalaldehydic acid, CAS 619-66-9) is primarily a research-grade chemical intermediate and biochemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a catalyst for biomedical hydrogels and as a building block for antimicrobial compounds. The compound exhibits inhibition of ALDH1A1 and malarial parasite plastid function. No clinical trials or approved indications exist. |
| Molecular Formula |
C8H6O3
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|---|---|
| Molecular Weight |
150.13
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| Exact Mass |
150.031
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| CAS # |
619-66-9
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| PubChem CID |
12088
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
332.6±25.0 °C at 760 mmHg
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| Melting Point |
256 °C
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| Flash Point |
169.2±19.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.620
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| LogP |
1.76
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
157
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1C=O)C(=O)O
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| InChi Key |
GOUHYARYYWKXHS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
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| Chemical Name |
4-formylbenzoic 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: 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 (666.09 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 (16.65 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 (16.65 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 | 6.6609 mL | 33.3045 mL | 66.6089 mL | |
| 5 mM | 1.3322 mL | 6.6609 mL | 13.3218 mL | |
| 10 mM | 0.6661 mL | 3.3304 mL | 6.6609 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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