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| Targets |
Theasaponin E2 is a triterpene glycoside with the aglycone theasapogenol E. As a saponin, it can interact with cellular membranes, causing pore formation and modulating membrane fluidity and permeability. It also modulates lipid metabolism and interacts with various signaling pathways involved in inflammation (e.g., NF-kappaB) and apoptosis. Specific high-affinity receptor targets have not been fully characterized, but its biological effects are attributed to its amphiphilic nature and its ability to modulate oxidative stress and interact with lipid rafts.
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| ln Vitro |
In vitro, Theasaponin E2 shows cytotoxicity against human leukemia cells. Specifically, it inhibits the growth of K562 (chronic myeloid leukemia) and HL60 (acute promyelocytic leukemia) cells with an IC50 of 14.7 microg/mL. It also exhibits anti-inflammatory activity by reducing the production of pro-inflammatory cytokines. The compound is soluble in chloroform, dichloromethane, ethyl acetate, DMSO, and acetone. It has been reported to modulate lipid metabolism, making it of interest for anti-obesity research.
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| ln Vivo |
The in vivo activity of Theasaponin E2 has not been extensively reported in standard literature, but it is expected to contribute to the known pharmacological effects of tea saponins. Tea saponins have demonstrated anti-obesity effects in animal models by inhibiting pancreatic lipase activity and reducing fat absorption. They also exhibit anti-inflammatory effects by reducing edema in carrageenan-induced paw edema models. Theasaponin E2, as a member of the triterpenoid saponin family, is valued for its potential to modulate oxidative stress and interact with cellular membranes.
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| Enzyme Assay |
A standard biochemical assay for saponins is the hemolysis assay (membrane permeabilization). Freshly collected red blood cells (RBCs) from mice or rabbits are washed with PBS and diluted to a 2% suspension. Theasaponin E2 is serially diluted (e.g., 0-200 microg/mL) in PBS and added to the RBC suspension. The mixture is incubated at 37degC for 1-2 hours. After centrifugation, the supernatant is collected, and the release of hemoglobin is measured by absorbance at 540 nm. The half-maximal hemolytic concentration (HC50) is calculated. This assay is a measure of the compound's ability to interact with and disrupt lipid bilayers.
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| Cell Assay |
An in vitro cytotoxicity assay for Theasaponin E2 is performed using K562 (human chronic myeloid leukemia) and HL60 (human acute promyelocytic leukemia) cells. Cells are seeded in 96-well plates at 1 × 10⁴ cells/well and treated with various concentrations of Theasaponin E2 (e.g., 0-100 microg/mL) for 48 hours. Cell viability is measured by MTT or CCK-8 assay. The half-maximal inhibitory concentration (IC50) is calculated from the dose-response curve (reported IC50 = 14.7 microg/mL). Apoptosis can be confirmed by Annexin V-FITC/PI staining and flow cytometry, and cell cycle distribution is analyzed by PI staining.
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| Animal Protocol |
In vivo studies for Theasaponin E2 can be performed in mouse models of cancer or obesity. For a xenograft model, immunodeficient mice are subcutaneously injected with K562 or HL60 cells (5 × 10⁶ cells/mouse). When tumors reach ~100 mm3, mice are randomized into groups and treated with Theasaponin E2 at doses of 10-50 mg/kg via intraperitoneal (IP) injection or oral gavage, daily for 14-21 days. Tumor volume and body weight are measured every 2-3 days. For an anti-obesity study, mice are fed a high-fat diet (HFD) for 6-8 weeks to induce obesity, then Theasaponin E2 (10-50 mg/kg, oral gavage) is administered for 4 weeks. Endpoints include body weight, fat pad weight, serum lipid profiles (total cholesterol, triglycerides, LDL, HDL), and liver histology (H&E, Oil Red O staining).
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| ADME/Pharmacokinetics |
Theasaponin E2 has a molecular weight of 1231.34 and is a large, highly oxygenated triterpene glycoside. It is likely to have poor oral bioavailability due to its high molecular weight (>1000 Da) and poor membrane permeability. It is soluble in organic solvents but poorly soluble in water. For in vivo studies, it is typically formulated in a vehicle such as 0.5% carboxymethylcellulose (CMC) or a mixture of DMSO, PEG300, Tween 80, and saline. The pharmacokinetic parameters (half-life, Cmax, AUC) for Theasaponin E2 have not been reported.
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| Toxicity/Toxicokinetics |
Specific toxicological data for Theasaponin E2 is not available. Saponins, in general, can have toxicity due to their membrane-permeabilizing activity, which can lead to hemolysis and gastrointestinal irritation if absorbed systemically at high doses. However, tea saponins have been used in traditional medicine and as functional food ingredients with a generally favorable safety profile. The hemolytic activity of Theasaponin E2 can be measured in vitro to assess membrane toxicity. Standard safety precautions for handling natural products should be followed.
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| References | |
| Additional Infomation |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetoxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14] A-te tea trees have been reported to contain tea-derived hydrogenated pyran-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxacyclohexane-2-yl]oxyoxacyclohexane-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxacyclohexane-2-yl]oxyoxacyclohexane-2-carboxylic acid, and relevant data are available.
Theasaponin E2 (CAS 220114-30-7) is a naturally occurring saponin predominantly isolated from Camellia sinensis (tea plant). It is one of the triterpenoid saponins that contribute to the bitter taste and potential health benefits of tea. Theasaponin E2 is a research-grade compound used for pharmacological studies of anti-inflammatory, antioxidant, anti-obesity, and anticancer properties. It shows cytotoxicity against K562 and HL60 cells with an IC50 of 14.7 microg/mL. The compound is not approved for any clinical indication and is strictly intended for research use. |
| Molecular Formula |
C59H90O27
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|---|---|
| Molecular Weight |
1231.3297
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| Exact Mass |
1230.566
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| CAS # |
220114-30-7
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| PubChem CID |
100928210
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| Appearance |
White to off-white solid powder
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| LogP |
-0.9
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| Hydrogen Bond Donor Count |
13
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| Hydrogen Bond Acceptor Count |
27
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| Rotatable Bond Count |
17
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| Heavy Atom Count |
86
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| Complexity |
2550
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| Defined Atom Stereocenter Count |
30
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| SMILES |
O([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@](C([H])=O)(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@]32C([H])([H])[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O2)O[C@@]2([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O2)O[H])O[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O2)O[H])O[H])O[H])O[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])[C@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])([C@@]([H])([C@@]21C([H])([H])OC(C([H])([H])[H])=O)O[H])OC(/C(=C(/[H])\C([H])([H])[H])/C([H])([H])[H])=O
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| InChi Key |
RPFAABJEBARVGF-MWQJAWBESA-N
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| InChi Code |
InChI=1S/C59H90O27/c1-10-24(2)49(76)86-47-46(73)59(23-79-25(3)62)27(17-54(47,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)65)81-53-45(85-51-40(71)38(69)37(68)30(19-60)80-51)42(41(72)43(83-53)48(74)75)82-52-44(36(67)29(64)21-78-52)84-50-39(70)35(66)28(63)20-77-50/h10-11,22,27-47,50-53,60,63-73H,12-21,23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,50-,51-,52-,53+,55-,56-,57+,58+,59-/m0/s1
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| Chemical Name |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 0.8121 mL | 4.0606 mL | 8.1213 mL | |
| 5 mM | 0.1624 mL | 0.8121 mL | 1.6243 mL | |
| 10 mM | 0.0812 mL | 0.4061 mL | 0.8121 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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