| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Other Sizes |
| Targets |
Obacunone targets multiple pathways. It is a novel activator of Nrf2, a transcription factor that regulates antioxidant response genes. It exhibits anti-aromatase activity and targets TGR5 and inhibits PPARγ transcriptional activity. Its diverse activities suggest it modulates multiple signaling pathways involved in cancer, inflammation, and metabolism.
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| ln Vitro |
Obacunone (1-50 μM; 48 hours) efficiently reduces UVR-induced cytotoxicity [2]. Obacunone (25 μM; 1 h+12 h) can alleviate UVR-induced oxidative damage in ARPE-19 cells and reduce the buildup of reactive oxygen species, mitochondrial depolarization, lipid peroxidation, and single-stranded DNA accumulation in human ARPE-19 cells [2] . Obacunone (25 μM; 1 hour + 12 hours) can slow down UVR-induced apoptosis in human ARPE-19 cells and mouse RPE cells [2].
In vitro, Obacunone exhibits anticancer, antioxidant, anti-inflammatory, antidiabetic, neuroprotective, antibiosis, and antiviral activities. It is a novel activator of Nrf2 and has anti-aromatase activity. It also has anti-proliferative, anti-inflammatory, and anti-virulence activities. Its diverse in vitro activities make it a valuable tool for studying multiple disease pathways. |
| ln Vivo |
In B6 mice, bleomycin-induced lung inflammation and fibrosis is inhibited by obacunone (10 mg/kg; intraperitoneal injection; single dosage) [3].
In vivo activity data for Obacunone are limited. Its diverse in vitro activities suggest potential in vivo efficacy in models of cancer, inflammation, diabetes, neurodegeneration, and infection. As an Nrf2 activator, it may enhance antioxidant defenses and reduce oxidative stress in vivo. Further in vivo studies are needed to confirm its therapeutic potential. |
| Enzyme Assay |
In vitro assays for Obacunone are conducted to evaluate its various activities. Nrf2 activation is assessed using luciferase reporter assays in cells transfected with antioxidant response element (ARE)-luciferase constructs. Anti-aromatase activity is measured using human placental microsomes and radiolabeled androstenedione. PPARγ transcriptional activity is assessed using reporter gene assays. Antiproliferative activity is evaluated using cancer cell lines.
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| Cell Assay |
Cellular assays for Obacunone are performed using various cancer cell lines, inflammatory cells, or neuronal cells. Cells are treated with compound concentrations ranging from 0.1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. Nrf2 target gene expression (e.g., HO-1, NQO1) is measured by qPCR or Western blotting. Inflammatory cytokine production is measured by ELISA.
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| Animal Protocol |
In vivo animal studies for Obacunone would typically utilize rodent models of cancer, inflammation, diabetes, or neurodegeneration. Tumor xenograft models are used to assess antitumor efficacy. Models of inflammation (e.g., carrageenan-induced paw edema) are used to assess anti-inflammatory activity. The compound is administered orally or intraperitoneally.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Obacunone are not well characterized. The compound has a molecular weight of 454.51 and a molecular formula of C₂₆H₃₀O₇. It is insoluble in water, soluble in chloroform, acetone, and glacial acetic acid, and slightly soluble in ethanol. Standard PK studies in rodents would be required.
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| Toxicity/Toxicokinetics |
Toxicological data for Obacunone are limited. As a natural product-derived compound, it may have a moderate safety profile. No significant acute toxicity has been reported. The compound is designated for research use only.
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| References |
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| Additional Infomation |
Obacunone is a limonene. It has been reported to be found in citrus fruits, iyo oranges, and other organisms with relevant data.
Obacunone is a limonoid triterpenoid with anticancer, antioxidant, anti-inflammatory, antidiabetic, and neuroprotective activities. It activates Nrf2 and inhibits PPARγ. It has a molecular weight of 454.51 and formula C₂₆H₃₀O₇. It is not clinically approved. |
| Molecular Formula |
C26H30O7
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|---|---|
| Molecular Weight |
454.5122
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| Exact Mass |
454.199
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| CAS # |
751-03-1
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| PubChem CID |
119041
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
626.2±55.0 °C at 760 mmHg
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| Flash Point |
332.5±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.592
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| LogP |
2.91
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
33
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| Complexity |
985
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| Defined Atom Stereocenter Count |
8
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| SMILES |
O1[C@]2([H])C(=O)O[C@@]([H])(C3=C([H])OC([H])=C3[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@]5(C([H])=C([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([C@@]4(C([H])([H])[H])[C@]132)=O)C([H])([H])[H]
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| InChi Key |
MAYJEFRPIKEYBL-OASIGRBWSA-N
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| InChi Code |
InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
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| Chemical Name |
(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
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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 : ~250 mg/mL (~550.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.58 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 20.8 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: ≥ 2.08 mg/mL (4.58 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 20.8 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: ≥ 2.08 mg/mL (4.58 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 | 2.2002 mL | 11.0009 mL | 22.0017 mL | |
| 5 mM | 0.4400 mL | 2.2002 mL | 4.4003 mL | |
| 10 mM | 0.2200 mL | 1.1001 mL | 2.2002 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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