| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
3-Hydroxyphenylacetic acid does not have a well-characterized specific biological target. As an endogenous metabolite, it may be involved in the metabolism of phenylalanine and tyrosine. It is a phenolic acid that may have antioxidant properties. Further studies are needed to elucidate its specific molecular targets and biological functions. |
|---|---|
| ln Vitro |
In vitro studies of 3-hydroxyphenylacetic acid are limited. As an organic synthesis building block, it is used in the preparation of various chemical compounds. The compound may be used in studies of phenolic acid metabolism and as a reference standard in metabolomics research. Further research is needed to characterize its in vitro biological activity.
|
| ln Vivo |
In vivo activity data for 3-hydroxyphenylacetic acid are limited. As an endogenous metabolite, it is produced in the body and may be involved in various metabolic pathways. Further research is needed to evaluate its in vivo biological functions and potential therapeutic applications.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3-hydroxyphenylacetic acid are not well-established. As a phenolic acid, it may interact with enzymes involved in the metabolism of aromatic amino acids. Further research is needed to develop specific assays for studying the molecular interactions of this compound with enzymes and other biomolecules.
|
| Cell Assay |
In vitro cell-based assays for 3-hydroxyphenylacetic acid are not well-established. As a metabolite, it may be studied in cell lines for its effects on metabolic pathways and oxidative stress. Further research is needed to characterize its effects on various cell types and to identify its mechanism of action.
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known metabolites of 3-hydroxyphenylacetic acid include 2-phenylacetic acid. 3-Hydroxyphenylacetic acid is a known metabolite of 3,4-dihydroxyphenylacetic acid. 3-Hydroxyphenylacetic acid has a molecular formula of C8H8O3 and a molecular weight of 152.15. The CAS number is 621-37-4. It is also known as 3-hydroxybenzeneacetic acid. The compound is useful in organic synthesis. It is intended for research use only. |
| Toxicity/Toxicokinetics |
The toxicity profile of 3-hydroxyphenylacetic acid is not extensively characterized, as it is an endogenous metabolite. It is generally considered safe for use in biochemical research. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices should be followed when handling this compound.
|
| Additional Infomation |
3-Hydroxyphenylacetic acid (HPA) is a monocarboxylic acid, a derivative of phenylacetic acid in which the hydrogen at the 3-position of the benzene ring is replaced by a hydroxyl group. It is a human heterologous metabolite. It is a monocarboxylic acid belonging to the phenolic class of compounds. Functionally, it is related to acetic acid. It is the conjugate acid of 3-hydroxyphenylacetic acid ester. HPA has been reported to exist in Homo sapiens, Rhizoctonia solani, and other organisms with relevant data.
3-Hydroxyphenylacetic acid (CAS 621-37-4) is an organic compound belonging to the class of 1-hydroxy-4-unsubstituted benzenoids. It is also known as 3-hydroxybenzeneacetic acid. The compound is useful in organic synthesis. It has a molecular formula of C8H8O3 and a molecular weight of 152.15. The compound is intended for research use only. |
| Molecular Formula |
C8H8O3
|
|---|---|
| Molecular Weight |
152.15
|
| Exact Mass |
152.047
|
| CAS # |
621-37-4
|
| PubChem CID |
12122
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
349.0±17.0 °C at 760 mmHg
|
| Melting Point |
129 °C
|
| Flash Point |
179.1±17.4 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.596
|
| LogP |
0.77
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
144
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=CC(=C1)O)CC(=O)O
|
| InChi Key |
FVMDYYGIDFPZAX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
|
| Chemical Name |
2-(3-hydroxyphenyl)acetic acid
|
| 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 |
| 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 :~50 mg/mL (~328.62 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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 (16.43 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 | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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.
Link: https://clinicaltrials.gov/ct2/show/NCT05122767
Conditions:Tuberculosis|HIVLink: https://clinicaltrials.gov/ct2/show/NCT04655794
Conditions:Adverse Reaction to Drug|3HPLink: https://clinicaltrials.gov/ct2/show/NCT02689089
Conditions:TuberculosisProducts are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
