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| Other Sizes |
| Targets |
Astragenol targets inflammatory pathways and signaling cascades involved in prostate carcinogenesis. As a triterpenoid sapogenin, it modulates inflammation-induced tumorigenic signaling alterations. The compound's anti-inflammatory properties partially restore the loss of androgen receptor (AR) and tumor suppressor NKX3.1, both of which contribute to prostate tumorigenesis in an inflammatory microenvironment. Its derivatives exhibit concentration-dependent anti-inflammatory and cytotoxic activity. The compound also exhibits antioxidant and immunomodulatory effects, suggesting interactions with cellular redox systems and immune signaling pathways.
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| ln Vitro |
Astragenol derivatives have demonstrated significant potential as anti-inflammatory and anticancer agents in in vitro studies. The semi-synthetic sapogenol derivatives exhibit concentration-dependent anti-inflammatory and cytotoxic activity. These compounds inhibit inflammation-induced tumorigenic signaling alterations in prostate carcinogenesis models. The anti-inflammatory properties of these molecules partially restore the loss of androgen receptor (AR) and tumor suppressor NKX3.1. These in vitro findings support the potential of Astragenol derivatives for targeting prostatic inflammation and inflammation-driven prostate cancer.
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| ln Vivo |
In vivo studies of Astragenol are limited as the compound is primarily used as an intermediate for derivative synthesis rather than as a direct therapeutic agent. Semi-synthetic sapogenol derivatives have displayed promise as anti-inflammatory and anticancer drug candidates for targeting prostatic inflammation and inflammation-induced prostate carcinogenesis. The compound's antioxidant and immunomodulatory effects suggest potential for in vivo evaluation in models of inflammation and cancer. However, comprehensive in vivo pharmacological studies specifically targeting Astragenol are not well documented. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme inhibition assays for Astragenol typically involve testing its anti-inflammatory activity through measurement of inflammatory cytokine production in activated immune cells. The compound's derivatives are evaluated for concentration-dependent anti-inflammatory and cytotoxic activity in cell-based systems. Antioxidant activity is assessed using cell-free systems such as DPPH radical scavenging assays. The compound's purity (>98%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. All assays are performed with appropriate controls and standardized protocols.
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| Cell Assay |
In vitro cell-based assays for Astragenol derivatives involve culturing prostate cancer cells to evaluate anti-inflammatory and cytotoxic activities. Cells are treated with varying concentrations of the compounds and assessed for inflammatory marker expression and cell viability. The compounds' ability to restore androgen receptor (AR) and tumor suppressor NKX3.1 expression is evaluated. For antioxidant studies, cells are treated and exposed to oxidative stress inducers; reactive oxygen species levels are measured using fluorescent probes. Cell viability is assessed using MTT or similar colorimetric assays. All experiments are performed with appropriate controls.
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| Animal Protocol |
In vivo animal experiments for Astragenol derivatives would be conducted to evaluate their anti-inflammatory and anticancer activities in prostate cancer models. Animals would be administered the compounds and inflammation-induced tumorigenic signaling alterations assessed. Parameters assessed would include tumor growth, inflammatory markers, androgen receptor expression, and tumor suppressor NKX3.1 levels. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Astragenol reflect its nature as a triterpenoid sapogenin. It has a molecular weight of 490.71 g/mol and the molecular formula C30H50O5. The compound is soluble in ethanol at 50 mg/mL (101.89 mM). It is stored as a powder at -20°C away from moisture. As a lipophilic triterpenoid, it would be absorbed through the gastrointestinal tract and distributed throughout the body. The compound is expected to be metabolized through standard xenobiotic pathways in the liver. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of Astragenol has been evaluated in the context of its use as a research chemical. As a naturally occurring triterpenoid sapogenin from Astragalus membranaceus, it is expected to have a favorable safety profile at research concentrations. The compound has a purity of >98%. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile.
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| References | |
| Additional Infomation |
Reports indicate that Astragalus membranaceus and Astragalus mongholicus contain astragalool, and relevant data is available for reference.
Astragenol (CAS# 86541-79-9) is a lanost-9(11)-ene-type triterpenoid sapogenin with the molecular formula C30H50O5 and a molecular weight of 490.71 g/mol. The compound is derived from Astragalus membranaceus and serves as an intermediate for astragenol derivative synthesis. Astragenol derivatives are promising anti-inflammatory drugs in prostate cancer research. Semi-synthetic sapogenin derivatives inhibit inflammation-induced tumorigenic signaling alterations in prostate carcinogenesis. The compound exhibits antioxidant, anti-inflammatory, and immunomodulatory effects. |
| Molecular Formula |
C30H50O5
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|---|---|
| Molecular Weight |
490.72
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| Exact Mass |
490.366
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| CAS # |
86541-79-9
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| PubChem CID |
11944583
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| Appearance |
White to off-white solid
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| LogP |
4.602
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
35
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| Complexity |
910
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| Defined Atom Stereocenter Count |
11
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| SMILES |
C[C@@]12[C@@H]([C@]3(CC[C@@H](C(O)(C)C)O3)C)[C@@H](O)C[C@]1([C@@H]1C[C@H](O)[C@H]3C([C@H](CC[C@]3(C)C1=CC2)O)(C)C)C
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| InChi Key |
KNESISUQBYQIIU-LOIFQKOGSA-N
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| InChi Code |
InChI=1S/C30H50O5/c1-25(2)21(33)10-12-27(5)17-9-13-28(6)24(30(8)14-11-22(35-30)26(3,4)34)20(32)16-29(28,7)18(17)15-19(31)23(25)27/h9,18-24,31-34H,10-16H2,1-8H3/t18-,19+,20+,21+,22+,23+,24+,27-,28-,29+,30-/m1/s1
|
| Chemical Name |
(3S,5R,6S,8S,10S,13R,14S,16S,17R)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol
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| Synonyms |
Astragenol
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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, avoid exposure to moisture. |
| 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) |
Ethanol: 50 mg/mL (101.89 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (4.08 mM) (saturation unknown) in 10% EtOH + 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 20.0 mg/mL clear EtOH 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 mg/mL (4.08 mM) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear EtOH 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 mg/mL (4.08 mM) (saturation unknown) in 10% EtOH + 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 | 2.0378 mL | 10.1891 mL | 20.3782 mL | |
| 5 mM | 0.4076 mL | 2.0378 mL | 4.0756 mL | |
| 10 mM | 0.2038 mL | 1.0189 mL | 2.0378 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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