| Size | Price | |
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| Other Sizes |
| Targets |
(S)-(-)-Phenylethanol exhibits bioactivity related to Arylsulfotransferase (AST IV). It has an apparent Michaelis constant (Km) of 250,000 nM and a maximal velocity (Vmax) of 33.7 nM min⁻¹. As an endogenous metabolite, it may interact with various metabolic enzymes.
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| ln Vitro |
In vitro, (S)-(-)-Phenylethanol is used as a substrate for Arylsulfotransferase (AST IV) to study enzyme kinetics and sulfation reactions. It exhibits bioactivity related to this enzyme. The compound is a chiral flavor compound that can be produced by biocatalytic reduction of acetophenone. It is used in studies of enantioselective biotransformations.
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| ln Vivo |
In vivo, (S)-(-)-Phenylethanol is metabolized in mice. It is an endogenously produced metabolite. The compound's potential therapeutic and toxic effects make it a subject of interest in medical research. Further studies are needed to fully characterize its in vivo pharmacological activity and metabolic fate.
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| Enzyme Assay |
In vitro enzyme assays for Arylsulfotransferase (AST IV) involve incubating the enzyme with (S)-(-)-Phenylethanol as substrate and 3'-phosphoadenosine-5'-phosphosulfate (PAPS) as sulfate donor in Tris-HCl buffer at pH 7.4. The sulfated product is quantified by HPLC or LC-MS/MS. Kinetic parameters (Km, Vmax) are determined by varying substrate concentrations.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with (S)-(-)-Phenylethanol at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay. The compound's effects on sulfation and other metabolic processes are evaluated by measuring metabolite levels using LC-MS/MS. Cytotoxicity and effects on cell proliferation can be assessed.
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| Animal Protocol |
For in vivo animal studies, (S)-(-)-Phenylethanol is administered to mice via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. The compound and its metabolites are quantified by GC-MS or LC-MS. Tissue distribution and metabolic profiling are performed to understand its disposition and metabolic fate.
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| ADME/Pharmacokinetics |
(S)-(-)-Phenylethanol (MW 122.16) is soluble in organic solvents. It is a chiral compound with a characteristic odor. The compound is stable under standard storage conditions. As an endogenous metabolite, it is expected to be absorbed and metabolized through normal metabolic pathways. The (S)-enantiomer is the naturally occurring form in some biological systems.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As an endogenous metabolite, it is expected to have low toxicity at physiological concentrations. However, the compound may have potential therapeutic and toxic effects at higher doses. Standard safety precautions should be followed.
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| Additional Infomation |
(S)-1-Phenylenol is the (S)-enantiomer of 1-phenylethanol and is metabolized in mice. It is the enantiomer of (R)-1-phenylethanol. (S)-1-Phenylenol has been reported to exist in Cyperus conglomeratus, wheat (Triticum aestivum), and Alpinia oxyphylla, and relevant data are available.
(S)-(-)-Phenylethanol (CAS# 1445-91-6) is an endogenous metabolite and research reagent used primarily in studies of sulfation, enantioselective biotransformations, and flavor chemistry. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used in studies of Arylsulfotransferase (AST IV) activity and as a chiral building block in organic synthesis. |
| Molecular Formula |
C8H10O
|
|---|---|
| Molecular Weight |
122.16
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| Exact Mass |
122.073
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| CAS # |
1445-91-6
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| PubChem CID |
443135
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
206.9±8.0 °C at 760 mmHg
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| Melting Point |
41893ºC
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| Flash Point |
85.0±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.532
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| LogP |
1.38
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
74.6
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
O([H])[C@@]([H])(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
WAPNOHKVXSQRPX-ZETCQYMHSA-N
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| InChi Code |
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
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| Chemical Name |
(1S)-1-phenylethanol
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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 (818.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.46 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. Solubility in Formulation 2: ≥ 1.25 mg/mL (10.23 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 12.5 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. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (10.23 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. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.1860 mL | 40.9299 mL | 81.8599 mL | |
| 5 mM | 1.6372 mL | 8.1860 mL | 16.3720 mL | |
| 10 mM | 0.8186 mL | 4.0930 mL | 8.1860 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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