| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Isobutylshikonin targets multiple pathways. It exhibits antioxidant activity through radical scavenging mechanisms. The compound inhibits tumor growth by inducing apoptosis and inhibiting angiogenesis. Its anti-inflammatory activity involves modulation of inflammatory signaling pathways. The compound also demonstrates antimicrobial effects.
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|---|---|
| ln Vitro |
In vitro, isobutylshikonin exhibits obvious antioxidant activities, with very good radical scavenging activities toward ABTS⁺ and moderate inhibition of DPPH·. It inhibits tumor growth by inducing apoptosis and inhibiting angiogenesis. The compound also demonstrates anti-inflammatory and antimicrobial effects. Its activities have been compared and evaluated through Rancimat method, reducing power, and radical scavenging activity assays.
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| ln Vivo |
In vivo studies on isobutylshikonin are limited. Based on its mechanism of action, the compound may have potential in cancer treatment and inflammatory disorders. Its anti-inflammatory activity supports potential use in skin care formulations and wound healing. Further in vivo studies are needed to fully characterize its pharmacological effects and therapeutic potential.
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| Enzyme Assay |
For in vitro antioxidant assays, isobutylshikonin is evaluated using ABTS⁺ and DPPH· radical scavenging assays. In the ABTS assay, the compound is incubated with ABTS⁺ radical solution, and the decrease in absorbance at 734 nm is measured. In the DPPH assay, the compound is incubated with DPPH radical solution, and the decrease in absorbance at 517 nm is measured. Scavenging activity is calculated as a percentage.
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| Cell Assay |
For in vitro cell-based assays, isobutylshikonin is typically tested on cancer cell lines. Cells are treated with the compound at various concentrations (typically 1-100 μM) for 24-72 hours. Cell viability and proliferation are assessed using MTT or CCK-8 assays. Apoptosis is evaluated by flow cytometry with Annexin V/PI staining. Angiogenesis inhibition can be assessed using endothelial cell tube formation assays.
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| Animal Protocol |
In vivo animal experiments for isobutylshikonin have not been extensively reported. Based on its mechanism as an anticancer and anti-inflammatory agent, potential experimental models include xenograft tumor models in mice and inflammation models. The compound could be administered orally or intraperitoneally, with tumor volume, inflammatory markers, and histopathological examination used as pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for isobutylshikonin are limited. As a naphthoquinone with a molecular weight of 358.39 g/mol and formula C₂₀H₂₂O₆, it is expected to have moderate oral bioavailability. Standard pharmacokinetic studies would be required to determine its absorption, distribution, metabolism, and excretion profile.
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| Toxicity/Toxicokinetics |
Toxicological data for isobutylshikonin are limited. As a shikonin family naphthoquinone, it may have cytotoxic effects at high concentrations. However, comprehensive toxicological studies have not been extensively reported. The compound is classified as a research-grade reagent and is not for human use.
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| References | |
| Additional Infomation |
Isobutylshikonin is a hydroxy-1,4-naphthoquinone. It has been reported that isobutylshikonin is present in Lithospermum erythrorhizon, and relevant data is available for reference.
Isobutylshikonin is a research-use only compound and has not been approved for clinical applications. It is also known as isobutyrylshikonin and异丁酰紫草素 in Chinese. The compound is isolated from Lithospermum erythrorhizon. Its molecular weight is 358.39 and formula is C₂₀H₂₂O₆. It is available from various research chemical suppliers. |
| Molecular Formula |
C20H22O6
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|---|---|
| Molecular Weight |
358.38500
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| Exact Mass |
358.141
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| CAS # |
52438-12-7
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| PubChem CID |
479500
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| Appearance |
Brown to black Solid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
565.2±45.0 °C at 760 mmHg
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| Melting Point |
88ºC
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| Flash Point |
295.6±28.7 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.577
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| Source |
Originated from plants: Boraginaceae Lithospermum canescens Lehm.
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| LogP |
4.27
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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 |
6
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| Heavy Atom Count |
26
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| Complexity |
641
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C(C)C)C
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| InChi Key |
BVRYLTBIGIAADD-MRXNPFEDSA-N
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| InChi Code |
InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1
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| Chemical Name |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
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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: ~10 mg/mL (~27.9 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (10.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7903 mL | 13.9513 mL | 27.9026 mL | |
| 5 mM | 0.5581 mL | 2.7903 mL | 5.5805 mL | |
| 10 mM | 0.2790 mL | 1.3951 mL | 2.7903 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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