| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
Orthosphenic acid targets inflammatory and cancer-related pathways through its anti-inflammatory, antioxidant, and anticancer activities. The compound inhibits the growth of cancer cells in vitro and shows synergistic effects with wilforlide, another bioactive compound from Tripterygium wilfordii. As a Bronsted acid, it may interact with specific molecular targets through proton donation. Its tricyclic diterpenoid structure suggests potential interactions with cellular receptors or enzymes involved in inflammation and cell proliferation.
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| ln Vitro |
In vitro, Orthosphenic acid inhibits the growth of cancer cells and exhibits anti-inflammatory and antioxidant properties. It shows synergistic effects with wilforlide, suggesting potential for combination therapy approaches. As a natural triterpenoid, it has been studied for its ability to modulate inflammatory pathways and reduce oxidative stress. Specific IC50 values and detailed mechanistic data are not extensively reported in the available literature. The compound's anticancer activity has been demonstrated in cell-based assays.
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| ln Vivo |
Specific in vivo data for Orthosphenic acid are limited in the available literature. Given its anti-inflammatory and anticancer properties, the compound has potential for in vivo efficacy studies in animal models of inflammatory diseases and cancer. Its origin from Tripterygium wilfordii, a plant known for its traditional use in treating rheumatoid arthritis, suggests potential applications in autoimmune and inflammatory conditions. Synergistic effects with wilforlide suggest potential for combination studies in vivo.
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| Enzyme Assay |
The anti-inflammatory activity is assessed using standard in vitro assays. Immune cells such as macrophages are treated with Orthosphenic acid and stimulated with LPS or other inflammatory stimuli. Cytokine levels (e.g., TNF-α, IL-6, IL-1β) are measured by ELISA. Antioxidant activity is assessed using DPPH radical scavenging, ABTS, or FRAP assays. Anticancer activity is evaluated using cancer cell lines with MTT or similar viability assays. Cells are treated with various concentrations of the compound for 24-72 hours, and IC50 values are calculated from dose-response curves.
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| Cell Assay |
For cellular studies, cancer cell lines and immune cells are cultured in appropriate media supplemented with 10% FBS at 37°C in 5% CO₂. Cells are treated with Orthosphenic acid at various concentrations for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. For anti-inflammatory studies, cytokine levels in culture supernatants are measured by ELISA. For antioxidant studies, cellular ROS levels may be measured using DCFH-DA. Protein expression of inflammatory and cell cycle markers is analyzed by Western blot.
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| Animal Protocol |
In vivo studies for Orthosphenic acid would be conducted in appropriate animal models. For anti-inflammatory studies, models such as carrageenan-induced paw edema, collagen-induced arthritis, or DSS-induced colitis could be employed. For anticancer studies, xenograft models using cancer cell lines would be used. The compound would be administered via oral gavage or intraperitoneal injection at appropriate doses. Endpoints would include inflammatory markers, tumor volume, tissue histopathology, and clinical scores. Synergistic effects with wilforlide could be evaluated in combination studies.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for Orthosphenic acid are not reported. As a tricyclic diterpenoid with molecular weight 488.7 g/mol, the compound is expected to have moderate lipophilicity and potential for oral absorption. Pharmacokinetic studies would be required to determine parameters such as half-life, Cmax, oral bioavailability, and tissue distribution in animal models. The compound's stability in biological matrices and protein binding properties would also require characterization.
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| Toxicity/Toxicokinetics |
Toxicological data for Orthosphenic acid are limited. As a natural product from Tripterygium wilfordii, a plant known to contain compounds with significant toxicity (e.g., triptolide), the compound's safety profile requires careful evaluation. However, Orthosphenic acid itself may have a different toxicity profile. Comprehensive toxicology studies including acute, subchronic, and genotoxicity assessments would be required before any therapeutic development. The compound should be handled with appropriate safety precautions.
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| References | |
| Additional Infomation |
Orthosphenic acid is a tricyclic diterpenoid compound with the molecular formula C30H48O5, originally isolated from the bark of Tripterygium wilfordii. It is a hexacyclic triterpenoid compound, a diol, a hydroxy monocarboxylic acid, and a cyclic hemiacetal. It is derived from the hydride of friedane. Orthosphenic acid has been reported to exist in Salacia chinensis, Tripterygium wilfordii, and other organisms with relevant data.
Orthosphenic acid is a tricyclic diterpenoid from Tripterygium wilfordii with anti-inflammatory, antioxidant, and anticancer properties. It inhibits cancer cell growth and shows synergy with wilforlide. No clinical trials or approvals exist. For research use only. |
| Molecular Formula |
C30H48O5
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|---|---|
| Molecular Weight |
488.6991
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| Exact Mass |
488.35
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| CAS # |
86632-20-4
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| PubChem CID |
20056194
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.20±0.1 g/cm3
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| Boiling Point |
591.9±35.0 °C at 760 mmHg
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| LogP |
5.622
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
35
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| Complexity |
951
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| Defined Atom Stereocenter Count |
12
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| SMILES |
CC1[C@]2(OC[C@]31CC[C@@H]1[C@]4(CC[C@]5(CC[C@@](C[C@H]5[C@@]4(CC[C@@]1(C)[C@@H]3C[C@H]2O)C)(C)C(=O)O)C)C)O
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| InChi Key |
JPAXVSRGFJVPEU-XCIUXINDSA-N
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| InChi Code |
InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
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| Chemical Name |
(1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0462 mL | 10.2312 mL | 20.4625 mL | |
| 5 mM | 0.4092 mL | 2.0462 mL | 4.0925 mL | |
| 10 mM | 0.2046 mL | 1.0231 mL | 2.0462 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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