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Pedunculoside

Cat No.:V11868 Purity: ≥98%
Pedunculoside exerts its lipid-lowering effects through the regulation of lipid formation and fatty acid beta-oxidation.
Pedunculoside
Pedunculoside Chemical Structure CAS No.: 42719-32-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10mg
100mg
Other Sizes
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Product Description
Pedunculoside exerts its lipid-lowering effects through the regulation of lipid formation and fatty acid beta-oxidation.
Pedunculoside (CAS# 42719-32-4) is a triterpenoid saponin extracted primarily from plants of the Ilex genus, such as Ilex rotunda Thunb. It has a molecular formula of C₃₆H₅₈O₁₀ and a molecular weight of 650.84 g/mol. Pedunculoside exhibits a range of biological activities, with notable effects on lipid metabolism and inflammation. It exerts lipid-lowering effects partly through the regulation of lipogenesis and fatty acid β-oxidation.
Biological Activity I Assay Protocols (From Reference)
Targets
Pedunculoside targets lipid metabolism pathways. It regulates PPAR-γ and exerts its lipid-lowering effects through the regulation of lipid formation and fatty acid beta-oxidation. It also exhibits anti-inflammatory activity. Pedunculoside exhibits antitrypanosomal activity against both Trypanosoma cruzi Tulahuen CL2 and Trypanosoma brucei S427. It has been shown to ameliorate high-fat diet induced hyperlipidemia in rats.
ln Vitro
Ilex rotunda Thunb is the source of the triterpene saponin known as pedunculoside. Methyl isobutylxanthine, dexamethasone, insulin, or MDI, can drive 3T3L1 cells to produce PPAR-γ, CCAAT/enhancer binding protein α (C/EBPα), and SREBP-1. Pedunculoside can also suppress AMPK. PSYCHOSYLATION [1].
In vitro, Pedunculoside regulates lipid metabolism by modulating lipogenesis and fatty acid β-oxidation. It regulates PPAR-γ expression. It exhibits antitrypanosomal activity against Trypanosoma cruzi and Trypanosoma brucei, though with relatively low potency (IC₅₀ values greater than 32000.0 nM). Its anti-inflammatory activity has been characterized in cell-based assays. Pedunculoside is a specialized tool for oncology and lipid metabolism research programs.
ln Vivo
In vivo, Pedunculoside ameliorates high-fat diet induced hyperlipidemia in rats. It exerts lipid-lowering effects through the regulation of lipid formation and fatty acid β-oxidation. Its anti-inflammatory activity has been demonstrated in animal models. The compound's ability to modulate lipid metabolism makes it a potential therapeutic candidate for metabolic disorders such as hyperlipidemia and associated cardiovascular diseases.
Enzyme Assay
The activity of Pedunculoside can be assessed using cell-free enzyme assays targeting fatty acid synthase or other lipid metabolism enzymes. The enzyme is incubated with its substrate and cofactors in the presence of varying concentrations of Pedunculoside. The production of fatty acids or other lipid metabolites is measured using spectrophotometric or chromatographic methods. The IC₅₀ for enzyme inhibition is determined from dose-response curves.
Cell Assay
To evaluate the cellular effects of Pedunculoside, cells such as hepatocytes or adipocytes are treated with the compound. Lipid accumulation is measured using Oil Red O staining or by quantifying triglyceride content. The expression of genes involved in lipogenesis (e.g., FASN, SCD1) and fatty acid oxidation (e.g., PPARα, CPT1A) is analyzed by qRT-PCR. The effects on inflammation are assessed by measuring cytokine levels.
Animal Protocol
In vivo studies with Pedunculoside typically involve administration to animal models of hyperlipidemia, such as high-fat diet-fed rats. The compound is administered via oral gavage. Blood lipid profiles (total cholesterol, triglycerides, LDL, HDL) are measured. Liver and adipose tissue are collected for histological analysis and gene expression studies. The compound's effects on body weight, food intake, and glucose metabolism are also monitored.
ADME/Pharmacokinetics
Pedunculoside has a molecular formula of C₃₆H₅₈O₁₀ and a molecular weight of 650.84 g/mol. Its CAS number is 42719-32-4. It appears as a white to off-white solid. It is soluble in DMSO, pyridine, methanol, and ethanol. The purity is typically ≥98%. It should be stored at -20°C.
Toxicity/Toxicokinetics
Specific toxicology data for Pedunculoside are not extensively detailed in the available literature. However, its use in animal studies at effective doses suggests a degree of tolerability. As with all research compounds, standard safety precautions should be taken when handling Pedunculoside. It is intended for research use only and is not for human consumption.
References

[1]. Pedunculoside, a novel triterpene saponin extracted from Ilex rotunda, ameliorates high-fat diet induced hyperlipidemia in rats. Biomed Pharmacother. 2018 May;101:608-616.

Additional Infomation
Pediflorin is a triterpenoid saponin. It has been reported to exist in Rubus ellipsoides, Ilex pubescens, and other organisms with relevant data.
Pedunculoside is a triterpenoid saponin extracted from Ilex rotunda Thunb with lipid-lowering, anti-inflammatory, and antitrypanosomal activities. It exerts its lipid-lowering effects through the regulation of lipogenesis and fatty acid β-oxidation. Pedunculoside is used as a research tool to study lipid metabolism, inflammation, and metabolic disorders such as hyperlipidemia. It is not a clinically approved drug.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C36H58O10
Molecular Weight
650.8397
Exact Mass
650.403
CAS #
42719-32-4
PubChem CID
14286954
Appearance
White to off-white solid powder
Density
1.31
Boiling Point
760.1±60.0 °C at 760 mmHg
Flash Point
230.3±26.4 °C
Vapour Pressure
0.0±5.8 mmHg at 25°C
Index of Refraction
1.606
LogP
5.01
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
5
Heavy Atom Count
46
Complexity
1240
Defined Atom Stereocenter Count
16
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChi Key
LARPFJIXBULVPK-FBAXZNBGSA-N
InChi Code
InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1
Chemical Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~153.65 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.84 mM) (saturation unknown) in 10% DMSO + 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 25.0 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.

Solubility in Formulation 2: ≥ 2.5 mg/mL (3.84 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.5365 mL 7.6824 mL 15.3648 mL
5 mM 0.3073 mL 1.5365 mL 3.0730 mL
10 mM 0.1536 mL 0.7682 mL 1.5365 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.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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