1. Apoptosis TGF-beta/Smad Stem Cell/Wnt Vitamin D Related/Nuclear Receptor NF-κB Protein Tyrosine Kinase/RTK
  2. Apoptosis TGF-beta/Smad Estrogen Receptor/ERR NF-κB FAK
  3. Demethylzeylasteral

Demethylzeylasteral is an orally active triterpenoid compound isolated from Tripterygium wilfordii, which has functions such as anti-inflammatory, anti-tumor, anti fertility, estrogen metabolism regulation, immune suppression, and immune system regulation [1][2].

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Demethylzeylasteral Chemical Structure

Demethylzeylasteral Chemical Structure

CAS No. : 107316-88-1

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Based on 3 publication(s) in Google Scholar

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Description

Demethylzeylasteral is an orally active triterpenoid compound isolated from Tripterygium wilfordii, which has functions such as anti-inflammatory, anti-tumor, anti fertility, estrogen metabolism regulation, immune suppression, and immune system regulation [1][2].

In Vitro

Demethylzeylasteral (0-50 μM, 72 h) inhibits cell growth and proliferation by inducing cell cycle arrest in glioma cells[1].
Demethylzeylasteral (5, 10 μM, 48 h) inhibits matrix degradation, migration and invasion of breast cancer cells[2].
Demethylzeylasteral (1-20 μM, 48 h) inhibits cell proliferation and induces apoptosis by inhibiting MCL1 in melanoma cells[3].
Demethylzeylasteral (0-2 μM, 48 h) inhibits the proliferation, migration, and activation of hepatic stellate cells[6].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Proliferation Assay[1].

Cell Line: LN-229, U-87, A-172, U-251 and U-118 cells
Concentration: 0-50 μM
Incubation Time: 72 h
Result: Inhibited the proliferation rate of cells

Cell Migration Assay [2].

Cell Line: MDA-MB-231 cell
Concentration: 5, 10 μM
Incubation Time: 48 h
Result: Inhibited cell migration of MDA-MB-231 cells

Western Blot Analysis[3].

Cell Line: MV3 cell, A375 cell
Concentration: 1-20 μM
Incubation Time: 48 h
Result: Reduced expression of anti-apoptotic protein MCL1

Western Blot Analysis[6].

Cell Line: LX-2 cell, HSC-T6 cell, primary HSC cell
Concentration: 0-2 μM
Incubation Time: 48 h
Result: Reduced the mRNA and protein expression of COL1A1, MMP2, α-SMA, and TIMP-2
In Vivo

Demethylzeylasteral (30 mg/kg, 6 times every 2 days, i.p.) inhibits glioma growth by regulating the miR-30e-5p/MYBL2 axis[1].
Demethylzeylasteral (4 mg/kg, 5 weeks, i.p.) inhibits the invasion of triple negative breast cancer by blocking classical and non classical TGF - β signaling pathways[2].
Demethylzeylasteral (30-120 mg/kg, 8 weeks, i.p.) improves inflammation in a unilateral ureteral obstruction rat model by inhibiting the activation of the NF - κ B pathway[4].
Demethylzeylasteral (10, 40 mg/kg, 30 days, i.g.) can alleviate atherosclerosis in AS rabbits[5].
Demethylzeylasteral (10, 20 mg/kg, 4 weeks, p.o.) improves CCl4 induced liver fibrosis in mice by inhibiting AGAP2 mediated FAK/AKT signaling[6].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model: Female nude mice modeled with glioma LN-229 cells[1].
Dosage: 30 mg/kg, 6 times every 2 days
Administration: Intraperitoneal injection (i.p.)
Result: Reduced tumor volume
Animal Model: Female BALB/c mice modeled with 4T1 cells[2].
Dosage: 4 mg/kg, 5 weeks
Administration: Intraperitoneal injection (i.p.)
Result: Reduced cancer lung metastasis
Animal Model: Rat model of unilateral ureteral obstruction[4].
Dosage: 30-120 mg/kg, 8 weeks
Administration: Intraperitoneal injection (i.p.)
Result: Inhibited the increases in serum creatinine, blood urea nitrogen and Up/Ucr ratio
Animal Model: Atherosclerotic rabbit[5].
Dosage: 10, 40 mg/kg, 30 days
Administration: Intragastrical (i.g.)
Result: Reduced blood lipids triglycerides (TG), total cholesterol (TC), low-density lipoprotein (LDL-C)
Animal Model: CCl4-induced liver fibrosis model[6].
Dosage: 10, 20 mg/kg, 4 weeks
Administration: Oral gavage (p.o.)
Result: Inhibited the expression of TGF-β1
Molecular Weight

480.59

Formula

C29H36O6

CAS No.
Appearance

Solid

Color

Light yellow to yellow

SMILES

C[C@](C1=CC2=O)(CC[C@]3(C)[C@@]4([H])C[C@@](C(O)=O)(C)CC3)[C@]4(CC[C@]1(C5=C2C(C=O)=C(O)C(O)=C5)C)C

Structure Classification
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.

Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 175 mg/mL (364.14 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.0808 mL 10.4039 mL 20.8078 mL
5 mM 0.4162 mL 2.0808 mL 4.1616 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 2.08 mg/mL (4.33 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
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+
%
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Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 99.92%

References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.0808 mL 10.4039 mL 20.8078 mL 52.0194 mL
5 mM 0.4162 mL 2.0808 mL 4.1616 mL 10.4039 mL
10 mM 0.2081 mL 1.0404 mL 2.0808 mL 5.2019 mL
15 mM 0.1387 mL 0.6936 mL 1.3872 mL 3.4680 mL
20 mM 0.1040 mL 0.5202 mL 1.0404 mL 2.6010 mL
25 mM 0.0832 mL 0.4162 mL 0.8323 mL 2.0808 mL
30 mM 0.0694 mL 0.3468 mL 0.6936 mL 1.7340 mL
40 mM 0.0520 mL 0.2601 mL 0.5202 mL 1.3005 mL
50 mM 0.0416 mL 0.2081 mL 0.4162 mL 1.0404 mL
60 mM 0.0347 mL 0.1734 mL 0.3468 mL 0.8670 mL
80 mM 0.0260 mL 0.1300 mL 0.2601 mL 0.6502 mL
100 mM 0.0208 mL 0.1040 mL 0.2081 mL 0.5202 mL
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Demethylzeylasteral
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