| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Demethylzeylasteral is an EC 2.4.1.17 (glucuronosyltransferase) inhibitor. It shows strong inhibition towards UGT1A6 and UGT2B7, with negligible influence towards UGT1A9. It also inhibits triple-negative breast cancer invasion by blocking the canonical and non-canonical TGF-β signaling pathways. Additionally, it can increase both activation and inactivation time constants of Ca(2+) currents.
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| ln Vitro |
In vitro, demethylzeylasteral has anti-tumor property in melanoma cells, not only inhibiting cell proliferation through cell cycle arrest at S phase, but also inducing cell apoptosis. It inhibits the invasion of triple-negative breast cancer by blocking the TGF-β signaling pathway. It also displays immunosuppressive activity.
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| ln Vivo |
In vivo, demethylzeylasteral has shown anti-inflammatory, immunosuppressive, and anti-tumor activities. It can significantly reduce atherosclerosis (AS). It may be used as an immunosuppressive agent in the fields of organ transplantation and autoimmune disorders.
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| Enzyme Assay |
In vitro enzyme assays for demethylzeylasteral typically measure its ability to inhibit UGT1A6 and UGT2B7 activity. The enzyme is incubated with its substrate in the presence of increasing concentrations of the compound. Enzyme activity is measured using spectrophotometric or chromatographic methods. IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cell-based assays for demethylzeylasteral involve treating cancer cell lines with the compound and measuring cell proliferation, apoptosis, and signaling pathway activation. The compound's ability to induce cell cycle arrest at S phase and apoptosis is assessed. Its effects on TGF-β signaling are evaluated by measuring the expression of downstream targets.
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| Animal Protocol |
In vivo animal studies for demethylzeylasteral are conducted in models of cancer, inflammation, and atherosclerosis. The compound is administered orally, and its effects on tumor growth, inflammatory markers, and atherosclerotic lesion size are assessed.
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| ADME/Pharmacokinetics |
Demethylzeylasteral is orally active. It is typically dissolved in DMSO for in vitro experiments. For in vivo administration, it can be formulated using suitable vehicles. The compound has a molecular weight of 452.6 g/mol.
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| Toxicity/Toxicokinetics |
The toxicological profile of demethylzeylasteral has been evaluated in preclinical studies. As a compound derived from Tripterygium wilfordii, which is known for its toxicity, caution is advised. The compound has demonstrated nephroprotective properties.
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| References |
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| Additional Infomation |
Demethylzeylasteral is a polycyclic aromatic hydrocarbon with the molecular formula C29H36O6, initially isolated from Tripterygium wilfordii. It possesses various phytometrogenic activities, including as an EC 2.4.1.17 (glucuronyltransferase) inhibitor, immunosuppressant, anti-inflammatory agent, and renal protectant. It belongs to the class of enones, cyclic ketones, aromatic formaldehydes, oxomonocarboxylic acids, and hydroquinones. Demethylzeylasteral has been reported to exist in Tripterygium wilfordii, Tripterygium hypoglaucum, and Tripterygium regelii, with relevant data available.
Demethylzeylasteral (T-96) is a triterpenoid compound isolated from Tripterygium wilfordii with anti-inflammatory, immunosuppressive, and anti-tumor activities. It is an inhibitor of UGT1A6 and UGT2B7. It inhibits triple-negative breast cancer invasion by blocking TGF-β signaling. It is a valuable research tool for studying these pathways and their roles in disease. |
| Molecular Formula |
C29H36O6
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|---|---|
| Molecular Weight |
480.6
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| Exact Mass |
480.251
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| CAS # |
107316-88-1
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| PubChem CID |
10322911
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
663.6±55.0 °C at 760 mmHg
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| Flash Point |
369.1±28.0 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.628
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| LogP |
6.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
35
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| Complexity |
1000
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)O
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| InChi Key |
ZDZSFWLPCFRASW-CPISFEQASA-N
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| InChi Code |
InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1
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| Chemical Name |
(2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
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| Synonyms |
T 96; T-96; Demethylzeylasteral
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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 : ~250 mg/mL (~520.19 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.33 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.8 mg/mL clear DMSO 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0807 mL | 10.4037 mL | 20.8073 mL | |
| 5 mM | 0.4161 mL | 2.0807 mL | 4.1615 mL | |
| 10 mM | 0.2081 mL | 1.0404 mL | 2.0807 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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