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| Targets |
Dehydroabietinol does not have a well-defined single molecular target in the context of drug discovery. It is known to exhibit antimicrobial activity against various microorganisms and fungicidal activity against wood contaminant fungi. The compound has also been reported to possess anti-austerity activity, which refers to the ability to inhibit cancer cell survival under nutrient-deprived conditions. Its mechanism of action may involve disruption of microbial cell membranes or inhibition of essential microbial enzymes.
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| ln Vitro |
Dehydroabietinol shows kinase inhibitory activity against the spleen tyrosine kinase SYK, with an IC50 value of 46.4 μM [1].
Dehydroabietinol demonstrates in vitro antimicrobial and fungicidal activities. It shows activity against wood contaminant fungi, indicating its potential as a natural antifungal agent. The compound also exhibits anti-austerity activity with a PC50 of 6.6, suggesting it may inhibit the survival of cancer cells under nutrient-deprived conditions. Further in vitro studies are needed to fully characterize its spectrum of activity and potency against specific pathogens and cancer cell lines. |
| ln Vivo |
In vivo activity data for Dehydroabietinol are limited in the available literature. As a natural product with antimicrobial and fungicidal properties, it may exhibit in vivo efficacy in animal models of infection. Its anti-austerity activity suggests potential in vivo antitumor effects. However, comprehensive in vivo studies are needed to evaluate its pharmacokinetic properties, efficacy, and safety in animal models.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for Dehydroabietinol is not well-defined due to its natural product origin and lack of a specific molecular target. Antimicrobial activity is typically assessed using broth microdilution or agar diffusion methods to determine minimum inhibitory concentrations (MICs) against various bacterial and fungal strains. Anti-austerity activity is measured using cell-free assays that assess the compound’s ability to inhibit cancer cell survival under nutrient-deprived conditions.
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| Cell Assay |
The in vitro cell-based assay for Dehydroabietinol involves testing its activity against microbial pathogens or cancer cell lines. Antimicrobial activity is assessed by culturing bacterial or fungal strains in the presence of the compound and measuring growth inhibition. Anti-austerity activity is evaluated using cancer cell lines cultured under glucose-deprived conditions; cell viability is measured to determine the compound’s ability to selectively kill cancer cells under nutrient stress.
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| Animal Protocol |
In vivo animal experiments for Dehydroabietinol are not extensively documented. If conducted, they would likely involve animal models of infection (for antimicrobial studies) or tumor xenograft models (for anti-austerity/antitumor studies). Animals would be administered the compound via appropriate routes, and efficacy would be assessed through survival, tumor growth inhibition, or microbial clearance.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of Dehydroabietinol are not reported in the available literature. The compound has a molecular formula of C20H30O and a molecular weight of 286.5 g/mol. As a natural diterpenoid, it is expected to have moderate lipophilicity and oral bioavailability. Further pharmacokinetic studies are required to determine its absorption, distribution, metabolism, and excretion (ADME) profile.
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| Toxicity/Toxicokinetics |
Toxicological data for Dehydroabietinol are not extensively documented. As a natural product, its safety profile may be evaluated in standard cytotoxicity assays and acute toxicity studies. The compound is typically used for research purposes only. Comprehensive toxicological characterization would be required prior to any therapeutic development.
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| References | |
| Additional Infomation |
Dehydroabscidinol is a C3-tricyclic compound and an abiran diterpenoid. It has been reported to exist in red pine, Scots pine, and other organisms with relevant data.
Dehydroabietinol (CAS 3772-55-2) is an abietane diterpenoid with antimicrobial, fungicidal, and anti-austerity activities. It has a molecular formula of C20H30O and a molecular weight of 286.5 g/mol. The compound is isolated from natural sources including Pinus species and Hyptis suaveolens. It is used in natural product research and is not approved for clinical use. Synonyms include Dehydroabietyl alcohol, Dehydroabietol, and Podocarpa-8,11,13-trien-15-ol, 13-isopropyl-. |
| Molecular Formula |
C20H30O
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|---|---|
| Molecular Weight |
286.45
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| Exact Mass |
286.229
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| CAS # |
3772-55-2
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| PubChem CID |
15586718
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
389.4±11.0 °C at 760 mmHg
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| Flash Point |
136.2±15.1 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.527
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| LogP |
6.35
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
376
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CO)C
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| InChi Key |
WSKGRAGZAQRSED-SLFFLAALSA-N
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| InChi Code |
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
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| Chemical Name |
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
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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 | 3.4910 mL | 17.4551 mL | 34.9101 mL | |
| 5 mM | 0.6982 mL | 3.4910 mL | 6.9820 mL | |
| 10 mM | 0.3491 mL | 1.7455 mL | 3.4910 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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