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| Targets |
Dehydrotrametenolic acid targets the caspase-3 pathway to induce apoptosis. It also targets nitric oxide (NO) synthase, suggesting an anti-inflammatory mechanism. Its anti-tumor, anti-inflammatory, and anti-diabetic effects are mediated through these and potentially other pathways. It has shown promising anticancer activity by inhibiting cell proliferation and suppressing tumor growth in preclinical studies.
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| ln Vitro |
Dehydroapernic acid specifically inhibits the growth of H-ras-transformed cells with a GI50 value of 40 μM [1].
In vitro, Dehydrotrametenolic acid induces apoptosis through the caspase-3 pathway. It has anti-tumor, anti-inflammatory, and anti-diabetic effects. It induces necrotic cell death that involves Ca²⁺ overload and mitochondrial dysfunction. Its activity has been demonstrated in various cancer cell lines. |
| ln Vivo |
In vivo, Dehydrotrametenolic acid has shown promising anticancer activity by inhibiting cell proliferation, inducing apoptosis, and suppressing tumor growth in preclinical studies. Its anti-inflammatory and anti-diabetic effects suggest potential for treating metabolic and inflammatory diseases. However, specific in vivo data are not detailed in the provided search results.
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| Enzyme Assay |
In vitro non-cell enzyme assays for Dehydrotrametenolic acid are not typical for apoptosis inducers. Its activity is primarily assessed in cell-based assays. However, its interaction with NO synthase could be studied in a cell-free system using the enzyme and its substrate.
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| Cell Assay |
In vitro cell-based assays for Dehydrotrametenolic acid use various cancer cell lines. Cells are treated with the compound, and apoptosis is assessed by measuring caspase-3 activity, detecting cleaved PARP, or using Annexin V/PI staining. Cell viability is assessed using MTT or similar assays. Its anti-inflammatory activity can be studied in macrophages by measuring NO production.
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| Animal Protocol |
In vivo animal studies for Dehydrotrametenolic acid would likely employ tumor xenograft models to study its anti-tumor efficacy. It could also be used in models of inflammation (e.g., carrageenan-induced paw edema) or diabetes to evaluate its therapeutic potential. Parameters such as tumor growth, inflammatory markers, and blood glucose levels would be measured.
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| ADME/Pharmacokinetics |
Dehydrotrametenolic acid has a molecular weight of 468.71 g/mol and a molecular formula of C₃₁H₄₈O₃. It is a sterol. It is soluble in organic solvents. Detailed pharmacokinetic data are not widely published but are available from preclinical studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of Dehydrotrametenolic acid is not extensively detailed in the provided search results. As a natural product from Poria cocos, which has a history of use in traditional medicine, it is generally considered to have a good safety profile. However, comprehensive toxicological studies are required for therapeutic development.
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| References | |
| Additional Infomation |
Dehydroeburicoic acid is a bile acid. It has been reported in Antrodia cinnamomea, Neolentinus dactyloides, and other organisms with relevant data.
Dehydrotrametenolic acid is a sterol from Poria cocos with anti-tumor, anti-inflammatory, and anti-diabetic effects. It induces apoptosis through the caspase-3 pathway. It has been investigated for its potential in cancer, cardiovascular, and liver disorders. It is also known as Dehydroeburicoic acid. It is not approved for clinical use and is intended for research purposes only. |
| Molecular Formula |
C31H48O3
|
|---|---|
| Molecular Weight |
468.7110
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| Exact Mass |
468.36
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| CAS # |
6879-05-6
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| PubChem CID |
15250826
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| Appearance |
White to off-white solid powder
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| Density |
1.07±0.1 g/cm3
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| LogP |
7.565
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
923
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| Defined Atom Stereocenter Count |
7
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| SMILES |
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O
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| InChi Key |
ONFPYGOMAADWAT-OXUZYLMNSA-N
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| InChi Code |
InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
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| Chemical Name |
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic 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) |
DMSO : ~1 mg/mL (~2.13 mM)
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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 | 2.1335 mL | 10.6676 mL | 21.3352 mL | |
| 5 mM | 0.4267 mL | 2.1335 mL | 4.2670 mL | |
| 10 mM | 0.2134 mL | 1.0668 mL | 2.1335 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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