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| Other Sizes |
| Targets |
(S)-4-Phenyloxazolidin-2-one does not have a defined pharmacological target as it is a chiral auxiliary and synthetic reagent. The compound is widely employed as a versatile building block in asymmetric synthesis. By forming an imide enolate, it enables highly stereoselective reactions including aldol condensations, alkylations, and aminations. Some oxazolidinone derivatives have been reported to exhibit diverse biological activities including antibacterial, antifungal, antiviral, and anticancer activities.
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| ln Vitro |
contaminants in ezetimibe. By blocking the Niemann-Pick C1-like 1 (NPC1L12) protein, a cholesterol transport protein found in the apical membrane of enterocytes, from absorbing cholesterol, ezetimibe reduces the absorption of cholesterol in the intestine.
No direct in vitro pharmacological activity data are available for (S)-4-phenyloxazolidin-2-one as it is a chiral auxiliary. In research settings, the compound is used as a reagent and building block in organic synthesis and life-science research. Its activity is assessed in terms of chiral induction efficiency, stereoselectivity, and synthetic utility rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for (S)-4-phenyloxazolidin-2-one as it is not a therapeutic agent. The compound is used exclusively as a chiral auxiliary and synthetic reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and medicinal chemistry laboratories.
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| Enzyme Assay |
For non-cellular assays, (S)-4-phenyloxazolidin-2-one is characterized by standard analytical techniques including NMR, HPLC, chiral HPLC, and polarimetry to confirm identity, chemical purity, and enantiomeric purity. The compound can be evaluated as a chiral auxiliary in asymmetric reactions. Typical protocols involve forming the imide enolate and carrying out stereoselective reactions. Purity is typically ≥95%. The compound has a molecular weight of 163.17 and molecular formula C9H9NO2.
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| Cell Assay |
(S)-4-Phenyloxazolidin-2-one is not typically used in direct cell-based assays as it is a chemical reagent. The compound is intended for synthetic chemistry applications. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
(S)-4-Phenyloxazolidin-2-one is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories for organic synthesis applications. Storage: keep in a cool, dry place protected from light and moisture. Standard handling procedures for oxazolidinones and chiral auxiliaries should be followed.
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| ADME/Pharmacokinetics |
(S)-4-Phenyloxazolidin-2-one has a molecular weight of 163.17 and molecular formula C9H9NO2. It has an MDL number of MFCD00043396. Purity: typically ≥95%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents.
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| Toxicity/Toxicokinetics |
(S)-4-Phenyloxazolidin-2-one is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported. The compound should be handled with care as with all laboratory chemicals.
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| Additional Infomation |
(S)-4-Phenyloxazolidin-2-one (CAS 99395-88-7) is also known as (S)-(+)-4-phenyl-2-oxazolidinone, (4S)-4-phenyloxazolidin-2-one, and (S)-POZ. It has an MDL number of MFCD00043396. The compound is a highly effective chiral auxiliary belonging to the Evans oxazolidinone family used in asymmetric synthesis. No clinical trials or therapeutic approvals exist for the parent compound.
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| Molecular Formula |
C9H9NO2
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|---|---|
| Molecular Weight |
163.17
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| Exact Mass |
163.063
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| CAS # |
99395-88-7
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| Related CAS # |
(S)-4-Phenyloxazolidin-2-one; 99395-88-7
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| PubChem CID |
730424
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
407.0±25.0 °C at 760 mmHg
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| Melting Point |
130-133ºC
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| Flash Point |
200.0±23.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.548
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| LogP |
1.39
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
175
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O1C(N([H])[C@@]([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])C1([H])[H])=O
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| InChi Key |
QDMNNMIOWVJVLY-MRVPVSSYSA-N
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| InChi Code |
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
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| Chemical Name |
(4S)-4-phenyl-1,3-oxazolidin-2-one
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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: ~200 mg/mL (~1225.7 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.33 mg/mL (20.41 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 (33.3 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: ≥ 3.33 mg/mL (20.41 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 (33.3 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: ≥ 3.33 mg/mL (20.41 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 (33.3 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 | 6.1286 mL | 30.6429 mL | 61.2858 mL | |
| 5 mM | 1.2257 mL | 6.1286 mL | 12.2572 mL | |
| 10 mM | 0.6129 mL | 3.0643 mL | 6.1286 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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