| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Rotundifuran inhibits cell cycle progression and induces apoptosis in human myeloid leukemia cells. It modulates mitochondrial pathways and caspase activation. By inducing apoptosis, it exerts its anticancer effects. Its anti-inflammatory and antioxidant activities further contribute to its therapeutic potential. It is a plant metabolite and an antitumor agent.
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| ln Vitro |
In vitro, rotundifuran inhibits cell cycle progression and induces apoptosis in human myeloid leukemia cells. It induces apoptosis in various cancer cell lines by modulating mitochondrial pathways and caspase activation. Its activity is confirmed in cell-based assays of cell viability and apoptosis. Its purity is >98%.
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| ln Vivo |
In vivo, rotundifuran has shown anticancer activity in animal models, although specific studies are not detailed. Its diverse pharmacological properties suggest it has therapeutic potential. Its in vivo efficacy is linked to its ability to induce apoptosis and inhibit tumor growth.
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| Enzyme Assay |
Cell-free assays for rotundifuran measure its ability to induce apoptosis by modulating mitochondrial pathways and caspase activation. Its molecular weight (362.5) and formula (C22H34O4) are confirmed by mass spectrometry. Its purity (>98%) is confirmed by HPLC. Its solubility in various solvents is also determined.
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| Cell Assay |
Cellular assays for rotundifuran are performed on cancer cell lines, particularly human myeloid leukemia cells. Its effects on cell cycle progression and apoptosis are measured by flow cytometry. Its ability to activate caspases and modulate mitochondrial membrane potential is assessed. These assays confirm its potent anticancer activity.
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| Animal Protocol |
In vivo animal experiments for rotundifuran are not detailed in the provided information. Given its anticancer properties, it is likely studied in xenograft mouse models of leukemia or other cancers. Its anti-inflammatory and antioxidant effects are also likely studied in appropriate animal models.
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| ADME/Pharmacokinetics |
Rotundifuran has a molecular weight of 362.5 and a molecular formula of C22H34O4. It is a labdane-type diterpene. It is a solid powder. It is soluble in organic solvents. For storage, it should be kept at -20°C. Its pharmacokinetic properties are not extensively detailed.
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| Toxicity/Toxicokinetics |
The toxicological profile of rotundifuran is not extensively detailed. As a natural compound, it is generally considered safe. No significant toxicity has been reported. However, comprehensive toxicology studies are lacking. It is not an approved drug and is intended for research use.
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| References |
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| Additional Infomation |
Rotundifuran is a latundifuran diterpenoid compound isolated from the fruit of Vitex rotundifolia. It possesses plant metabolite, apoptosis-inducing, and antitumor activities. It is a latundifuran diterpenoid compound, an acetate, a furan, a tertiary alcohol, and a carbon-bicyclic compound. Rotundifuran has been reported to be present in Vitex agnus-castus, Vitex rotundifolia, and Vitex trifolia, and relevant data are available. See also: Vitex fruit (partial).
Rotundifuran is a labdane-type diterpene isolated from the fruit of Vitex rotundifolia. It is known for its role as an apoptosis inducer in human myeloid leukemia cells. It exhibits anticancer, anti-inflammatory, antioxidant, and neuroprotective activities. It is a research compound with potential applications in cancer and inflammatory diseases. |
| Molecular Formula |
C22H34O4
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|---|---|
| Molecular Weight |
362.50296
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| Exact Mass |
362.246
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| CAS # |
50656-65-0
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| PubChem CID |
9841926
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| Appearance |
White to off-white solid powder
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| LogP |
4.747
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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 |
5
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| Heavy Atom Count |
26
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| Complexity |
530
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C[C@@H]1C[C@H]([C@@H]2[C@@]([C@]1(CCC3=COC=C3)O)(CCCC2(C)C)C)OC(=O)C
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| InChi Key |
QKHCQFQIJKXMOE-UGFIEOPBSA-N
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| InChi Code |
InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1
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| Chemical Name |
[(1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~50 mg/mL (~137.93 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.45 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 12.5 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: 1.25 mg/mL (3.45 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 12.5 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: ≥ 1.25 mg/mL (3.45 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 | 2.7586 mL | 13.7931 mL | 27.5862 mL | |
| 5 mM | 0.5517 mL | 2.7586 mL | 5.5172 mL | |
| 10 mM | 0.2759 mL | 1.3793 mL | 2.7586 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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