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| Other Sizes |
| Targets |
DL-Pantolactone does not have a specific pharmacological target as a therapeutic agent. It is primarily used as a chemical intermediate in the synthesis of pantothenic acid (vitamin B5). The compound can be hydrolyzed to pantoic acid by the lactone hydrolase (lactonohydrolase) of Fusarium oxysporum. As a chiral building block, it is used in the chemoenzymatic synthesis of (R)-pantolactone, a precursor to vitamin B5.
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| ln Vitro |
In vitro activity of DL-pantolactone is primarily related to its role as a substrate for enzymatic hydrolysis. The compound can be hydrolyzed to pantoic acid by the lactonohydrolase enzyme of Fusarium oxysporum. It is also used in the preparation of derivatives such as 3,5-dinitrobenzoyl-DL-pantolactone. In the context of vitamin B5 synthesis, the compound serves as a precursor rather than a biologically active agent.
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| ln Vivo |
In vivo, D-pantolactone is a precursor in the biosynthesis of pantothenic acid (vitamin B5), which is an essential nutrient. Pantothenic acid is a component of coenzyme A, which plays a critical role in fatty acid metabolism and energy production. DL-Pantolactone has been studied for its effects on plant growth regulation, where it can improve crop disease resistance and help increase yield.
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| Enzyme Assay |
In vitro enzyme assays for DL-pantolactone typically employ lactonohydrolase enzymes to measure hydrolysis activity. The enzyme converts DL-pantolactone to pantoic acid, and activity is monitored by measuring the rate of product formation using HPLC or spectrophotometric methods. The compound can also be used in chemoenzymatic synthesis reactions where asymmetric organocatalytic aldol reactions are combined with biotransformation.
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| Cell Assay |
Cellular assays are not typically performed with DL-pantolactone as it is not a pharmacologically active compound. The compound is used in chemical synthesis and as a precursor for vitamin B5 production. Cell culture studies are not relevant for this compound's primary applications. The compound is handled as a chemical reagent in laboratory settings.
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| Animal Protocol |
In vivo animal studies have been conducted for toxicological assessment of DL-pantolactone. In sub-chronic oral toxicity studies in rats, no reproductive or developmental toxicity was observed at doses up to 1,000 mg/kg/day, though mild parental toxicity was noted at this dose. The compound was not irritating to rabbit skin and was not a skin sensitizer in guinea pig maximization tests. These studies support the compound's safety profile for its industrial applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for DL-pantolactone are limited as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. As a small, hydrophilic molecule with molecular weight 130.14 g/mol, it would be expected to be well absorbed and rapidly metabolized to pantoic acid. D-pantolactone is a precursor in the biosynthesis of pantothenic acid (vitamin B5), which is an essential nutrient with well-characterized pharmacokinetics.
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| Toxicity/Toxicokinetics |
Toxicological studies have been conducted for DL-pantolactone. In sub-chronic oral toxicity studies in rats, no reproductive or developmental toxicity was observed at doses up to 1,000 mg/kg/day, though mild parental toxicity was noted at this dose. The compound was not irritating to rabbit skin and was not a skin sensitizer in guinea pig maximization tests. The compound may cause irritation according to MSDS information. Overall, DL-pantolactone has a favorable safety profile.
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| References | |
| Additional Infomation |
DL-pantolactone is a γ-lactone.
DL-Pantolactone is a cyclic ester used as a chemical intermediate in the synthesis of vitamin B5 (pantothenic acid). It is also used as a dispersing agent, emulsion stabilizer, and chiral building block in organic synthesis. The compound can be hydrolyzed to pantoic acid by lactonohydrolase enzymes. Toxicological studies have shown no reproductive or developmental toxicity at doses up to 1,000 mg/kg/day in rats. The compound is not approved as a drug; it is used as a chemical intermediate and in agricultural applications. |
| Molecular Formula |
C6H10O3
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|---|---|
| Molecular Weight |
130.14
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| Exact Mass |
130.062
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| CAS # |
79-50-5
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| PubChem CID |
989
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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 |
74-78 °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 |
0
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| InChi Key |
SERHXTVXHNVDKA-UHFFFAOYSA-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
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| Chemical Name |
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) |
H2O: 100 mg/mL (768.40 mM)
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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