| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-Hydroxybenzyl cyanide does not have a well-defined pharmacological target, as it is primarily a chemical intermediate and endogenous metabolite. It may interact with various enzymes and receptors as a xenobiotic, but its specific binding targets have not been fully characterized. The compound's nitrile and phenol groups make it reactive and capable of forming adducts with biological molecules. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
4-Hydroxybenzyl cyanide does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily used as a chemical intermediate. Studies may involve evaluating its reactivity in organic synthesis or its presence as a metabolite in biological samples. The compound is used in the synthesis of various organic compounds. It is not studied for specific biological activities.
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| ln Vivo |
In vivo activity of 4-Hydroxybenzyl cyanide is related to its role as an endogenous metabolite. It is metabolized by the body and excreted. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a chemical intermediate.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for 4-Hydroxybenzyl cyanide are not typical, as it is a chemical intermediate rather than a pharmacologically active compound. Studies may involve measuring its reactivity with various reagents or its presence as a metabolite in biological samples. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for 4-Hydroxybenzyl cyanide are not typical, as it is a chemical intermediate rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's nitrile group can be toxic to cells.
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| Animal Protocol |
In vivo animal experiments for 4-Hydroxybenzyl cyanide are not typical, as it is a chemical intermediate rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or toxicity. The compound is a known irritant and should be handled with care. Comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Hydroxybenzyl cyanide have not been extensively characterized. With a molecular weight of 133.15, the compound is expected to have moderate lipophilicity. It is slightly soluble in water and has a melting point of 67-70°C and a boiling point of 330°C at 756 mm Hg. Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-Hydroxybenzyl cyanide indicate that it may be harmful if ingested or inhaled. As a nitrile, it can release cyanide ions upon metabolism, which can be toxic. The compound should be handled with care, and standard safety protocols for handling nitriles and phenols should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
(4-Hydroxyphenyl)acetonitrile is a hydroxy nitrile formed by replacing the hydroxyl group at the 4-position of phenylacetonitrile. It is a plant metabolite. 4-Hydroxybenzyl cyanide has been reported in Drypetes gossweileri, Moringa oleifera, and Chlamydomonas reinhardtii, and relevant data are available for reference.
4-Hydroxybenzyl cyanide is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a chemical intermediate in organic synthesis. The compound is also an endogenous metabolite and is used as a reference standard in analytical chemistry. It is also known as p-Hydroxyphenylacetonitrile or 4-Hydroxyphenylacetic acid nitrile. Further research is needed to explore its potential biological activities. |
| Molecular Formula |
C₈H₇NO
|
|---|---|
| Molecular Weight |
133.15
|
| Exact Mass |
133.052
|
| CAS # |
14191-95-8
|
| PubChem CID |
26548
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| Appearance |
Light brown to brown solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
331.8±44.0 °C at 760 mmHg
|
| Melting Point |
71°C
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| Flash Point |
154.5±28.4 °C
|
| Vapour Pressure |
0.0±1.5 mmHg at 25°C
|
| Index of Refraction |
1.579
|
| LogP |
-2.42
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
139
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
AYKYOOPFBCOXSL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
|
| Chemical Name |
2-(4-hydroxyphenyl)acetonitrile
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| Synonyms |
4Hydroxybenzyl cyanide; 4 Hydroxybenzyl cyanide
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| 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 (~751.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.78 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (18.78 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 | 7.5103 mL | 37.5516 mL | 75.1033 mL | |
| 5 mM | 1.5021 mL | 7.5103 mL | 15.0207 mL | |
| 10 mM | 0.7510 mL | 3.7552 mL | 7.5103 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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