| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
| ln Vitro |
Aspirin consumption raises the levels of pyrocatechuic acid (2,3-dihydroxybenzoic acid), a typical human benzoic acid metabolite that is present in plasma [1].
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|---|---|
| Enzyme Assay |
For detection of Pyrocatechuic acid in human urine and plasma: Collect urine and plasma samples from subjects after oral aspirin administration; acidify samples with dilute acid to stabilize Pyrocatechuic acid; extract the compound using organic solvent; separate the extract via high-performance liquid chromatography (HPLC) with a reverse-phase column; detect and quantify Pyrocatechuic acid via ultraviolet (UV) detection at a wavelength of 290 nm; confirm the identity of the compound by comparing retention time with a standard reference[1]
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| ADME/Pharmacokinetics |
Phthalic acid (also known as 2,3-dihydroxybenzoic acid) is an endogenous metabolite of aspirin in the human body; it is formed by the oxidative metabolism of salicylic acid, the main metabolite of aspirin[1]. Phthalic acid is mainly excreted in urine; after oral aspirin, it accounts for about 1-3% of the total aspirin metabolites in urine[1]. The formation of phthalic acid involves the hydroxylation metabolism of salicylic acid in the liver and does not accumulate significantly in the systemic circulation[1].
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| References | |
| Additional Infomation |
2,3-Dihydroxybenzoic acid is a dihydroxybenzoic acid, a product of benzoic acid with hydroxyl groups replaced at the 2 and 3 positions. It is naturally found in Phyllanthus acidus and the aquatic fern Salvinia molesta. It is a heterologous metabolite in both humans and plants. Its function is related to benzoic acid. It is the conjugate acid of 2,3-dihydroxybenzoic acid. 2-Phenylacetic acid is a metabolite found in or produced by Escherichia coli (strains K12 and MG1655). 2,3-Dihydroxybenzoic acid is a metabolite found in or produced by Escherichia coli (strains K12 and MG1655). 2,3-Dihydroxybenzoic acid has been reported in Grossmania henleinii, Streptomyces, and other organisms with relevant data. See also: 2,3-Dihydroxybenzoic acid (note moved to). Phthalic acid is a chemical synonym of 2,3-dihydroxybenzoic acid, which is a derivative of monohydroxybenzoic acid [1]. It is a minor but important metabolite of aspirin, and it is metabolized by other major metabolites (such as salicyluric acid and glucuronide conjugates) through its dihydroxy substitution mode [1]. The metabolic pathway of phthalic acid reflects the human liver's capacity for oxidative biotransformation of aromatic compounds [1].
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| Molecular Formula |
C7H6O4
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|---|---|
| Molecular Weight |
154.12014
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| Exact Mass |
154.026
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| CAS # |
303-38-8
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| Related CAS # |
875-28-5 (hydrochloride salt)
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| PubChem CID |
19
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
362.5±32.0 °C at 760 mmHg
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| Melting Point |
204-206 °C(lit.)
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| Flash Point |
187.2±21.6 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.671
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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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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| InChi Key |
GLDQAMYCGOIJDV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
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| Chemical Name |
2,3-dihydroxybenzoic 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 : ~100 mg/mL (~648.85 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.22 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 (16.22 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4885 mL | 32.4423 mL | 64.8845 mL | |
| 5 mM | 1.2977 mL | 6.4885 mL | 12.9769 mL | |
| 10 mM | 0.6488 mL | 3.2442 mL | 6.4885 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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