| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 100mg |
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| 250mg | |||
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| Targets |
Roburic acid targets the cyclooxygenase (COX) enzymes, specifically COX-1 and COX-2, with IC₅₀ values of 5 μM and 9 μM, respectively. It also inhibits microsomal PGES1, an enzyme involved in prostaglandin E₂ synthesis, with an activity of 83.9% in IL-1β-stimulated human A549 cells. The compound directly targets its receptor, TNF-R1, and blocks NF-κB signaling, contributing to its anti-inflammatory and antitumor activities. As a tetracyclic triterpenoid, roburic acid interacts with multiple signaling pathways involved in inflammation and cancer. The compound's ability to inhibit both COX enzymes and PGES1 suggests a multi-targeted approach to modulating the inflammatory response, potentially offering advantages over selective COX inhibitors. Its role as a plant metabolite further indicates its natural occurrence and potential ecological functions.
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| ln Vitro |
In vitro studies have demonstrated that roburic acid is a potent inhibitor of COX-1 and COX-2, with IC₅₀ values of 5 μM and 9 μM, respectively. It exhibits significant bioactivity as an inhibitor of microsomal PGES1 isolated from IL-1β-stimulated human A549 cells, with an activity of 83.9%. The compound has also demonstrated antitumor activity in various cancer cell lines, inducing cell cycle arrest and apoptosis in colorectal cancer cells. Roburic acid has been shown to exhibit anti-inflammatory activity by targeting key signaling pathways. Its ability to inhibit COX enzymes and modulate NF-κB signaling makes it a valuable tool for studying inflammatory and oncogenic pathways. The compound's in vitro activity profile suggests potential therapeutic applications in inflammatory diseases and cancer, though further studies are needed to fully characterize its biological effects.
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| ln Vivo |
In vivo, roburic acid has demonstrated antitumor activity by suppressing tumor growth through blocking NF-κB signaling. Its anti-inflammatory activity has been shown in various animal models, though specific in vivo data are limited. The compound's ability to inhibit COX-1 and COX-2 suggests potential therapeutic applications in inflammatory conditions such as arthritis, while its antitumor activity indicates potential in cancer therapy. However, comprehensive in vivo efficacy and safety studies are needed to fully evaluate its therapeutic potential. The compound's natural occurrence in Gentiana species, which have been used in traditional medicine, further supports its potential as a lead compound for drug development.
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| Enzyme Assay |
In vitro non-cell enzyme/receptor binding assays for roburic acid typically involve measuring the inhibition of COX-1 and COX-2 activity using purified enzymes or microsomal preparations. The compound is incubated with COX enzymes and arachidonic acid as a substrate, and prostaglandin production is measured by ELISA or radiometric methods. IC₅₀ values are calculated from dose-response curves. For PGES1 inhibition assays, microsomal fractions from IL-1β-stimulated A549 cells are used, and the inhibition of PGE₂ production is measured. Binding to TNF-R1 can be assessed using surface plasmon resonance or ELISA-based binding assays. These assays provide quantitative data on the compound's direct interactions with its molecular targets.
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| Cell Assay |
In vitro cell-based assays for roburic acid use various cancer cell lines, such as colorectal cancer cells, to study its antitumor activity. Cells are treated with varying concentrations of roburic acid, and parameters such as cell viability (MTT or CCK-8 assays), cell cycle analysis (flow cytometry), and apoptosis (Annexin V/PI staining) are assessed. For anti-inflammatory studies, A549 cells or macrophages stimulated with IL-1β or LPS are used. The production of inflammatory mediators such as PGE₂, TNF-α, and IL-6 is measured by ELISA. NF-κB activation is assessed by Western blotting for phosphorylated IκBα or by reporter gene assays. These studies help to characterize the compound's cellular mechanism of action and its effects on inflammatory and oncogenic signaling pathways.
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| Animal Protocol |
In vivo animal studies for roburic acid would likely employ models of inflammation and cancer. For anti-inflammatory studies, standard models such as carrageenan-induced paw edema or adjuvant-induced arthritis in rodents can be used. The compound is administered orally or intraperitoneally, and parameters such as paw swelling, inflammatory cytokine levels, and histopathology of inflamed tissues are assessed. For antitumor studies, xenograft models using colorectal cancer cells can be employed. Tumor growth is monitored, and tumor tissues are analyzed for markers of apoptosis, cell cycle regulation, and NF-κB signaling. Pharmacokinetic studies in these models provide information about the compound's absorption, distribution, metabolism, and excretion.
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| ADME/Pharmacokinetics |
Roburic acid has a molecular weight of 440.70 g/mol and a molecular formula of C₃₀H₄₈O₂. It has a density of 1.0±0.1 g/cm³, a boiling point of 528.5±49.0 °C at 760 mmHg, and a flash point of 424.9±25.0 °C. The compound has a LogP of 11.09, indicating extremely high lipophilicity, which may affect its solubility and bioavailability. It is soluble in DMSO at concentrations ≥20 mg/mL. The compound has one hydrogen bond donor, two hydrogen bond acceptors, and four rotatable bonds. It should be stored as a powder at -20°C for three years or at 4°C for two years. In solvent, it can be stored at -80°C for six months or at -20°C for one month. Detailed pharmacokinetic parameters have not been extensively characterized.
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| Toxicity/Toxicokinetics |
The toxicity profile of roburic acid has not been comprehensively evaluated in published studies. As a natural triterpenoid from Gentiana species, which have a history of use in traditional medicine, it is generally considered to have moderate toxicity. The compound's high lipophilicity (LogP 11.09) suggests that it may have poor aqueous solubility, which could affect its bioavailability and toxicity profile. No specific toxicity data, such as LD₅₀ values or organ-specific toxicity, have been reported in the available literature. The compound is classified as a research reagent and is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound, including the use of appropriate personal protective equipment and working in a well-ventilated area.
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| References | |
| Additional Infomation |
Robreic acid is a tetracyclic triterpenoid compound with the molecular formula C30H40O2, isolated from the roots of the genus Gentiana dahurica and Gentiana macrophylla. It is a plant metabolite. Robreic acid is a tetracyclic triterpenoid, an olefin, and a monocarboxylic acid. Previous literature has reported the detection of robreic acid in both Gentiana macrophylla and Gentiana dahurica.
Roburic acid is a tetracyclic triterpenoid isolated from the roots of Gentiana macrophylla and Gentiana dahurica. It is also known as 栎樱酸 in Chinese. The compound acts as a COX inhibitor with IC₅₀ values of 5 μM for COX-1 and 9 μM for COX-2. It also inhibits microsomal PGES1 with an activity of 83.9%. Roburic acid has been shown to exhibit anti-inflammatory activity by targeting key signaling pathways and directly targeting TNF-R1. It has demonstrated antitumor activity in various cancer cell lines, inducing cell cycle arrest and apoptosis in colorectal cancer cells and suppressing tumor growth in vivo by blocking NF-κB signaling. The compound is a plant metabolite and a tetracyclic triterpenoid. It is used as a research compound for studying inflammation, cancer, and natural product pharmacology. Not approved for clinical use; intended for research purposes only. |
| Molecular Formula |
C30H48O2
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|---|---|
| Molecular Weight |
440.7009
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| Exact Mass |
440.365
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| CAS # |
6812-81-3
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| PubChem CID |
12315005
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
528.5±49.0 °C at 760 mmHg
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| Flash Point |
424.9±25.0 °C
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| Vapour Pressure |
0.0±3.0 mmHg at 25°C
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| Index of Refraction |
1.532
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| LogP |
11.09
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
825
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| Defined Atom Stereocenter Count |
9
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| SMILES |
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)[C@@H]2[C@H]1C)C)C
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| InChi Key |
RPPYCVULPFKBOG-CSHKLQQTSA-N
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| InChi Code |
InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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| Chemical Name |
3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~33.33 mg/mL (~75.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.67 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2691 mL | 11.3456 mL | 22.6912 mL | |
| 5 mM | 0.4538 mL | 2.2691 mL | 4.5382 mL | |
| 10 mM | 0.2269 mL | 1.1346 mL | 2.2691 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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