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|---|---|---|
| Other Sizes |
| Targets |
The primary targets of α-Angelica lactone include glutathione-S-transferase (GST) and UDP-glucosyltransferase (UGT), which it selectively enhances. By enhancing these detoxification enzymes, the compound exerts chemoprotective effects. It also targets cardiac calcium channels, providing cardiotonic activity. As a vinylogous nucleophile, it may interact with various electrophilic targets. These targets make it relevant for cancer chemoprevention and cardiovascular research.
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| ln Vitro |
In vitro, α-Angelica lactone selectively enhances GST and UGT detoxification enzyme activities. It is used in the synthesis of glutathione and in studies of GST and UGT activity. The compound demonstrates cardiotonic activity and acts as a vinylogous nucleophile. These in vitro activities support its use in cancer chemoprevention, cardiovascular, and detoxification research.
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| ln Vivo |
In vivo, α-Angelica lactone exerts chemoprotective effects by enhancing GST and UGT detoxification enzymes in esophagus, stomach, intestine, and liver. It acts as a cancer chemopreventive agent and has cardiotonic activity. The compound is a naturally occurring anti-cancer compound. However, detailed in vivo efficacy data are limited. Further studies are needed to evaluate its therapeutic potential in animal models.
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| Enzyme Assay |
In vitro enzyme assays for α-Angelica lactone involve measuring GST and UGT enzyme activities. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and enzyme activity is measured using appropriate substrates (e.g., CDNB for GST). Enhanced enzyme activity is quantified. Cardiotonic activity is assessed using isolated cardiac tissue preparations. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for α-Angelica lactone are conducted using various cell lines for chemoprevention and detoxification studies. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. GST and UGT activities are measured in cell lysates. Detoxification of model carcinogens is assessed. Cell viability is assessed using MTT assays. Cardiotonic effects are studied using cardiomyocyte cultures. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with α-Angelica lactone are limited, as the compound is primarily used as a research tool. Chemoprevention studies may be conducted in rodent models of carcinogenesis. The compound is administered via oral or intraperitoneal routes at doses ranging from 1-50 mg/kg. GST and UGT activities are measured in tissues. Tumor incidence is monitored. Cardiotonic effects may be assessed using cardiovascular models. Each group consists of 6-10 animals with vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of α-Angelica lactone have not been extensively characterized. As a small, lipophilic lactone (MW 98.10, C5H6O2), it is expected to have good oral bioavailability and tissue distribution. The compound is a naturally occurring anti-cancer compound and likely undergoes hepatic metabolism through hydrolysis and conjugation, with elimination via renal excretion. Detailed PK parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for α-Angelica lactone indicate that it is generally well-tolerated at concentrations used for research. As a naturally occurring compound, it is expected to have a reasonable safety profile. No significant toxicity has been reported. However, comprehensive toxicological studies have not been conducted. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References |
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| Additional Infomation |
α-Angelicin is a combination of angelicin and butenoic acid lactone. It is functionally related to but-3-en-4-olide. It is a tautomer of β-angelicin. α-Angelicin has been reported in spruce, bearberry, and tamarind, and available data exist.
α-Angelica lactone is a naturally occurring anti-cancer compound and vinylogous nucleophile. It exerts chemoprotective effects by selectively enhancing GST and UGT detoxification enzymes and has cardiotonic activity. It is used in research on cancer chemoprevention, detoxification, and cardiovascular function. Not approved for clinical therapeutic use; intended for research purposes. |
| Molecular Formula |
C₅H₆O₂
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|---|---|
| Molecular Weight |
98.10
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| Exact Mass |
98.036
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| CAS # |
591-12-8
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| PubChem CID |
11559
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
249.4±9.0 °C at 760 mmHg
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| Melting Point |
13-17 °C(lit.)
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| Flash Point |
68.3±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.472
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| LogP |
0.84
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
7
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| Complexity |
124
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CCC(=O)O1
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| InChi Key |
QOTQFLOTGBBMEX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
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| Chemical Name |
5-methyl-3H-furan-2-one
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| Synonyms |
αAngelica lactone; α Angelica lactone
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~1019.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (25.48 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 (25.48 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 (25.48 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 | 10.1937 mL | 50.9684 mL | 101.9368 mL | |
| 5 mM | 2.0387 mL | 10.1937 mL | 20.3874 mL | |
| 10 mM | 1.0194 mL | 5.0968 mL | 10.1937 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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