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| Other Sizes |
| Targets |
Pantolactone does not have a specific pharmacological target as it is primarily used as a chemical intermediate and chiral auxiliary. As a degradation product of pantothenic acid, it is involved in vitamin B5 metabolism. Its primary applications are in asymmetric synthesis as a chiral auxiliary and as an intermediate in the synthesis of pantothenic acid and other compounds.
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|---|---|
| ln Vitro |
In vitro, pantolactone is used as a chiral auxiliary in asymmetric synthesis reactions. It is also used as an analytical standard for research and analytical applications. Its chemical properties, including its chirality and lactone ring structure, make it useful for stereoselective synthesis. However, specific biological activity data are limited.
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| ln Vivo |
In vivo, pantolactone is a degradation product of pantothenic acid in the liver. Pantothenic acid (vitamin B5) is an essential nutrient that is converted to coenzyme A. Pantolactone is formed during the metabolism of pantothenic acid. It is not used as a therapeutic drug but is an important intermediate in vitamin B5 metabolism.
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| Enzyme Assay |
In non-cell-based biochemical assays, pantolactone is evaluated using standard analytical methods. Its purity is assessed using HPLC (≥98%). Its chemical properties, including optical rotation and melting point, are characterized. The compound is used as a reference standard in analytical chemistry for the quantification of pantolactone and related compounds.
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| Cell Assay |
In vitro cellular assays for pantolactone are not commonly performed, as the compound is primarily used as a chemical intermediate and analytical standard rather than as a bioactive compound. When evaluated, its effects on cell viability and metabolism may be assessed, but specific data are limited.
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| Animal Protocol |
In vivo animal studies for pantolactone are limited, as the compound is a degradation product of pantothenic acid rather than a therapeutic agent. When studied, it is typically administered to animals to assess its metabolism and excretion. However, specific protocols and data are limited in publicly available sources.
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| ADME/Pharmacokinetics |
Pantolactone has a molecular weight of 130.14 and a molecular formula of C6H10O3. It has a boiling point of 120-122°C at 15 torr and a melting point of 88-92°C. It is a chiral auxiliary used in asymmetric synthesis and an intermediate in the synthesis of pantothenic acid. The compound is the analytical standard of pantolactone.
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| Toxicity/Toxicokinetics |
As a research compound and chemical intermediate, pantolactone should be handled with appropriate safety precautions. Comprehensive toxicology studies have not been extensively published, but the compound is generally considered safe for laboratory use. It should be stored and handled in accordance with standard laboratory safety guidelines.
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| References | |
| Additional Infomation |
(R)-Pantothenic acid is a buty-4-lactone, a dihydrofuran-2(3H)-one with a hydroxyl group at the 3-position and two methyl groups at the 4-position (R-stereoisomer). It is a metabolite of Saccharomyces cerevisiae. Its function is related to (R)-pantothenic acid. Pantothenic acid has been reported in tobacco, and relevant data are available. (R)-Pantothenic acid is a metabolite found or produced in Saccharomyces cerevisiae.
Pantolactone (D-(-)-Pantolactone) is a chiral auxiliary used in many asymmetric synthesis reactions. It is an important intermediate in the synthesis of pantothenic acid (vitamin B5) as well as a degradation product of pantothenic acid in the liver. Pantolactone is the analytical standard for research and analytical applications. It is a research compound and is not an approved drug. |
| Molecular Formula |
C6H10O3
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|---|---|
| Molecular Weight |
130.1418
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| Exact Mass |
130.062
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| CAS # |
599-04-2
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| PubChem CID |
439368
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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 |
224.6±0.0 °C at 760 mmHg
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| Melting Point |
91 °C(lit.)
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| Flash Point |
99.0±13.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.469
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| LogP |
-0.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
139
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1(COC(=O)[C@@H]1O)C
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| InChi Key |
SERHXTVXHNVDKA-BYPYZUCNSA-N
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| InChi Code |
InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1
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| Chemical Name |
(3R)-3-hydroxy-4,4-dimethyloxolan-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 : ~100 mg/mL (~768.40 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.21 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.21 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (19.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 | 7.6840 mL | 38.4202 mL | 76.8403 mL | |
| 5 mM | 1.5368 mL | 7.6840 mL | 15.3681 mL | |
| 10 mM | 0.7684 mL | 3.8420 mL | 7.6840 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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