| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
(R)-2-Acetoxy-2-phenylacetic acid does not target a specific protein or enzyme as a pharmacological agent. Its utility is as a chiral derivatizing agent and chemical reagent rather than as a drug targeting specific molecular targets. The compound's chirality makes it valuable for determining the enantiomeric purity of other chiral compounds. As a chiral derivatizing agent, it reacts with enantiomeric mixtures to form diastereomeric derivatives that can be distinguished by NMR spectroscopy.
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|---|---|
| ln Vitro |
Using chiral derivatizing agents, the (R)- and (S)-isomers are employed in NMR analysis to determine the enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.
The in vitro activity of (R)-2-Acetoxy-2-phenylacetic acid is its function as a chiral derivatizing agent and chemical reagent. The compound is used as a sulfonylation reagent for organic synthesis and drug discovery. The (R)- and (S)-isomers are chiral derivatizing agents used for NMR determination of the enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines. The compound is particularly valuable in determining the enantiomeric purity of various organic compounds. Its chiral nature makes it useful for stereochemical analysis and asymmetric synthesis. |
| ln Vivo |
No significant in vivo activity has been reported for (R)-2-Acetoxy-2-phenylacetic acid as a therapeutic agent. The compound is primarily utilized as a chemical reagent and chiral derivatizing agent rather than a pharmacologically active compound. It is not intended for therapeutic use in living organisms.
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| Enzyme Assay |
In vitro assays for (R)-2-Acetoxy-2-phenylacetic acid are not typically performed in the context of enzyme or receptor binding, as the compound is a chemical reagent rather than a drug targeting specific biological targets. The compound is used as a chiral derivatizing agent for NMR analysis, where it is reacted with enantiomeric mixtures to form diastereomeric derivatives that can be distinguished by NMR spectroscopy.
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| Cell Assay |
For in vitro cellular experiments, (R)-2-Acetoxy-2-phenylacetic acid is not typically used in cell-based assays. The compound is primarily used as a chemical reagent in organic synthesis and analytical chemistry.
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| Animal Protocol |
In vivo animal experiments with (R)-2-Acetoxy-2-phenylacetic acid are not commonly performed, as the compound is primarily used as a chemical reagent rather than a therapeutic candidate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (R)-2-Acetoxy-2-phenylacetic acid have not been characterized, as the compound is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 194.18 g/mol and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
(R)-2-Acetoxy-2-phenylacetic acid is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
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| Additional Infomation |
(R)-2-Acetoxy-2-phenylacetic acid (CAS#: 51019-43-3) is a chiral compound used as a chiral derivatizing agent for NMR determination of enantiomeric purity and as a sulfonylation reagent for organic synthesis and drug discovery. The compound has no clinical or therapeutic applications.
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| Molecular Formula |
C10H10O4
|
|---|---|
| Molecular Weight |
194.18
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| Exact Mass |
194.057
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| CAS # |
51019-43-3
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| PubChem CID |
2733814
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
317.8±30.0 °C at 760 mmHg
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| Melting Point |
97-99ºC(lit.)
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| Flash Point |
125.0±18.1 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.541
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| LogP |
1.78
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
14
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| Complexity |
218
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
O(C(C([H])([H])[H])=O)[C@@]([H])(C(=O)O[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
OBCUSTCTKLTMBX-SECBINFHSA-N
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| InChi Code |
InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m1/s1
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| Chemical Name |
(2R)-2-acetyloxy-2-phenylacetic acid
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1499 mL | 25.7493 mL | 51.4986 mL | |
| 5 mM | 1.0300 mL | 5.1499 mL | 10.2997 mL | |
| 10 mM | 0.5150 mL | 2.5749 mL | 5.1499 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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