| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| ln Vitro |
- Oxypeucedanin hydrate (compound 2, (+)-oxypeucedanin hydrate) showed antiproliferative activity against sensitive mouse T‑lymphoma cells (PAR) with an IC₅₀ of 41.96 ± 0.88 μM, and against multidrug resistant (MDR) mouse T‑lymphoma cells with an IC₅₀ of 60.58 ± 2.74 μM (MTT assay, 72 h incubation). [1]
- The cytotoxic activity of Oxypeucedanin hydrate on PAR cells was >100 μM, and on MDR cells >100 μM (MTT assay, 24 h incubation). [1] - On normal murine NIH/3T3 fibroblasts, Oxypeucedanin hydrate exhibited mild toxicity with an IC₅₀ of 83.55 ± 0.57 μM (MTT assay, 24 h incubation). [1] - In the MDR efflux pump inhibition assay (rhodamine 123 retention flow cytometry), Oxypeucedanin hydrate at 20 μM produced a fluorescence activity ratio (FAR) of 0.75 (FAR calculated as [MDR treated/MDR control] / [parental treated/parental control]), and at 2 μM produced a FAR of 0.98. The reference inhibitor verapamil at 20 μM gave a FAR of 8.20, and tariquidar at 0.02 μM gave a FAR of 100.68. No strong MDR reversing activity was observed for this compound. [1] - No combination index (CI) values or checkerboard assay results are reported for Oxypeucedanin hydrate with doxorubicin; only oxypeucedanin (compound 3) and heraclenin (compound 8) were tested in the checkerboard combination assay. [1] |
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| Cell Assay |
- Antiproliferative assay (MTT): Mouse T‑lymphoma cells (PAR sensitive and MDR ABCB1‑transfected) were seeded at 6×10³ cells per well in 96‑well plates. Test compounds were diluted in McCoy’s 5A medium. After 72 h incubation at 37 °C in 5% CO₂, 20 μL of MTT solution (from a 5 mg/mL stock) was added to each well and incubated for 4 h. Then 100 μL of 10% SDS in 0.01 M HCl was added and plates were incubated overnight at 37 °C. OD was measured at 540 nm (reference 630 nm). IC₅₀ was calculated as the concentration that reduces cell growth by 50% relative to controls. For Oxypeucedanin hydrate (compound 2), the IC₅₀ values were 41.96 μM (PAR) and 60.58 μM (MDR). [1]
- Cytotoxicity assay (MTT): Cells (1×10⁴ per well) were seeded in 96‑well plates. For NIH/3T3 cells, compounds were added after overnight seeding. Test compounds were diluted in medium. After 24 h incubation at 37 °C in 5% CO₂, MTT solution (20 μL of 5 mg/mL stock) was added and incubated for 4 h, followed by 100 μL of 10% SDS in 0.01 M HCl overnight. OD was measured at 540/630 nm. Oxypeucedanin hydrate showed >100 μM on PAR and MDR cells, and 83.55 μM on NIH/3T3 fibroblasts. [1] - Multidrug resistance reversing assay (flow cytometry): MDR mouse T‑lymphoma cells (ABCB1‑overexpressing) and PAR cells were adjusted to 2×10⁶ cells/mL in serum‑free McCoy’s 5A medium, and 0.5 mL aliquots were distributed. Test compounds (including Oxypeucedanin hydrate at 2 and 20 μM) were added and incubated for 10 min at room temperature. Then rhodamine 123 (5.2 μM final) was added and cells were incubated for 20 min at 37 °C, washed twice, resuspended in PBS, and analyzed by flow cytometry. Mean fluorescence intensity was measured. FAR was calculated as (MDR treated/MDR control) / (parental treated/parental control). Verapamil (20 μM) and tariquidar (0.02 μM) served as positive controls. [1] |
| Toxicity/Toxicokinetics |
- Oxypeucedanin hydrate showed mild toxicity on normal murine NIH/3T3 fibroblasts with an IC₅₀ of 83.55 ± 0.57 μM in a 24 h MTT cytotoxicity assay. [1]
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| References | |
| Additional Infomation |
Oxocoumarin hydrate is a furanocoumarin. It is a metabolite. Oxocoumarin hydrate has been reported to exist in Japanese angelica, Japanese koji, and other organisms with relevant data.
- Oxypeucedanin hydrate exists as two diastereomers: (+)-oxypeucedanin hydrate (aviprin, compound 2) and (-)-oxypeucedanin hydrate (prangol, compound 5). Both were isolated from Ducrosia anethifolia for the first time in this study. Their identification was based on NMR data and comparison of optical rotations with literature values. [1] - The compound showed no selective toxicity towards multidrug resistant cancer cells and did not exhibit strong ABCB1 efflux pump inhibition (FAR close to 1). [1] |
| Molecular Formula |
C16H16O6
|
|---|---|
| Molecular Weight |
304.2946
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| Exact Mass |
304.094
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| Elemental Analysis |
C, 63.15; H, 5.30; O, 31.55
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| CAS # |
2643-85-8
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| PubChem CID |
17536
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
544.3±50.0 °C at 760 mmHg
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| Flash Point |
283.0±30.1 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.630
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| LogP |
1.31
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
460
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C1=C2C([H])=C([H])C(=O)OC2=C([H])C2=C1C([H])=C([H])O2)C([H])([H])[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])O[H])O[H]
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| InChi Key |
PEWFWDOPJISUOK-CYBMUJFWSA-N
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| InChi Code |
InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
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| Chemical Name |
4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
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| Synonyms |
Prangolarin hydrate; Prangol; (+) Aviprin; (+)-Aviprin; (+) Oxypeucedanin hydrate; (+)-Oxypeucedanin hydrate
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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 (~328.63 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.22 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 (8.22 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (8.22 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 | 3.2863 mL | 16.4317 mL | 32.8634 mL | |
| 5 mM | 0.6573 mL | 3.2863 mL | 6.5727 mL | |
| 10 mM | 0.3286 mL | 1.6432 mL | 3.2863 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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