| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-(Hydroxymethyl)phenylacetic acid does not have a defined pharmacological receptor target. It is a metabolic intermediate and chemical building block rather than a therapeutic agent. Its biological relevance stems from its role as a metabolite in phenylpropanoid biosynthesis.
|
|---|---|
| ln Vitro |
This compound can serve as the main body for insoluble polypeptides and can react with DEPBT and 4-acetylaniline to form amide intermediates. No specific pharmacological activities have been reported. The compound is used as an intermediate in the production of various pharmaceuticals and fine chemicals.
|
| ln Vivo |
In vivo activity data are not available for this compound, as it is primarily used as a chemical intermediate and research reagent rather than a therapeutic agent.
|
| Enzyme Assay |
Not applicable; this compound is a chemical intermediate and is not evaluated in pharmacological binding assays. Its characterization involves analytical methods such as NMR, HPLC, and GC to confirm structure and purity.
|
| Cell Assay |
Not applicable; no cell-based assays are performed with this compound as a test article. It may be used in peptide synthesis or as a building block for compounds that are subsequently evaluated.
|
| Animal Protocol |
Not applicable; no animal studies are conducted with this compound as a primary test agent.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not applicable for this compound as it is a chemical intermediate rather than a drug candidate.
|
| Toxicity/Toxicokinetics |
4-(Hydroxymethyl)phenylacetic acid has been shown to have a high concentration in human serum and plasma with low toxicity. No specific toxicity data beyond this observation have been reported.
|
| References | |
| Additional Infomation |
4-(Hydroxymethyl)phenylacetic acid is a research chemical, not an approved drug. It is widely used in pharmaceutical development as an intermediate for the synthesis of anti-inflammatory and analgesic drugs. It is also employed in the formulation of specialty chemicals and agrochemicals. The compound is valuable for peptide chemistry as a support for insoluble peptides.
|
| Molecular Formula |
C9H10O3
|
|---|---|
| Molecular Weight |
166.17
|
| Exact Mass |
166.063
|
| CAS # |
73401-74-8
|
| PubChem CID |
3283498
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.271g/cm3
|
| Boiling Point |
357.841ºC at 760 mmHg
|
| Melting Point |
131-134 °C(lit.)
|
| Flash Point |
184.406ºC
|
| Index of Refraction |
1.585
|
| LogP |
0.806
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
12
|
| Complexity |
148
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C(=O)O[H]
|
| InChi Key |
FWZBPBKAANKOJQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
|
| Chemical Name |
2-[4-(hydroxymethyl)phenyl]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: ~100 mg/mL (~601.8 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.04 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (15.04 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (15.04 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.0179 mL | 30.0897 mL | 60.1793 mL | |
| 5 mM | 1.2036 mL | 6.0179 mL | 12.0359 mL | |
| 10 mM | 0.6018 mL | 3.0090 mL | 6.0179 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
