| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The specific molecular targets of Isolugrandoside are not fully characterized. It demonstrates cytotoxicity against the HEp-2 cell line, suggesting interactions with cellular pathways involved in cell survival and proliferation. As a glycoside from Digitalis species, which are known for cardiac glycoside activity, it may have effects on cellular ion transport or signaling pathways. Further studies are needed to identify its primary mechanism of action.
|
|---|---|
| ln Vitro |
In vitro, Isolugrandoside showed higher cytotoxicity against the HEp-2 cell line than other isolated compounds from Digitalis davisiana Heywood. Specific IC50 values are not detailed in the available literature. The compound is a natural product used for studying plant-derived glycosides and exploring novel scaffolds for drug discovery. Further studies are needed to fully characterize its in vitro activity profile.
|
| ln Vivo |
Specific in vivo data for Isolugrandoside are not reported. Given its in vitro cytotoxicity against HEp-2 cells, the compound has potential for in vivo studies in xenograft models of cancer. However, specific published in vivo protocols for this compound are not available. The compound is primarily used as a research tool for natural product chemistry and drug discovery.
|
| Enzyme Assay |
The cytotoxic activity of Isolugrandoside is assessed using standard cell viability assays. HEp-2 cells (human epithelial type 2) are cultured in appropriate media and seeded in 96-well plates. Cells are treated with serial dilutions of the compound for 48-72 hours. Cell viability is measured using MTT, SRB, or CellTiter-Glo assays. IC50 values are calculated from dose-response curves by non-linear regression analysis.
|
| Cell Assay |
For cellular studies, HEp-2 cells are cultured in EMEM or DMEM supplemented with 10% FBS at 37°C in 5% CO₂. Cells are seeded at appropriate densities and treated with Isolugrandoside at concentrations ranging from 0.01 to 100 μM for 48-72 hours. Cell viability is assessed using MTT or SRB assays, and IC50 values are determined from dose-response curves. The compound has a molecular formula of C₂₉H₃₆O₁₆ and a molecular weight of 640.59 g/mol.
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| Animal Protocol |
In vivo studies for Isolugrandoside would be conducted in appropriate xenograft models using HEp-2 or other sensitive cancer cell lines. Immunodeficient mice would be implanted subcutaneously with cancer cells. Once tumors reach a certain size, the compound would be administered via intraperitoneal injection or oral gavage. Tumor volumes would be measured twice weekly, and body weights monitored for toxicity. However, specific published protocols are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Isolugrandoside are not reported. The compound has a molecular formula of C₂₉H₃₆O₁₆ and a molecular weight of 640.59 g/mol. It has a purity of >98% (HPLC). Pharmacokinetic studies would be required to determine parameters such as absorption, distribution, metabolism, and excretion. The compound should be stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 1 year.
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| Toxicity/Toxicokinetics |
Toxicological data for Isolugrandoside are not reported. As a natural product, it is generally considered to have a moderate safety profile. However, comprehensive toxicology studies have not been published. The compound should be handled with appropriate safety precautions in laboratory settings.
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| References | |
| Additional Infomation |
Reports have indicated that the European ash (Fraxinus ornus) contains isopyranoside, and relevant data is available for reference.
Isolugrandoside is a natural product from Digitalis davisiana with cytotoxicity against HEp-2 cells. Molecular formula: C₂₉H₃₆O₁₆, molecular weight: 640.59. No clinical trials exist. For research use only. |
| Molecular Formula |
C29H36O16
|
|---|---|
| Molecular Weight |
640.586550712585
|
| Exact Mass |
640.2
|
| CAS # |
221660-27-1
|
| PubChem CID |
5318592
|
| Appearance |
White to off-white solid powder
|
| Source |
Originated from plants: Plantaginaceae Digitalis davisiana Heywood
|
| LogP |
-1
|
| Hydrogen Bond Donor Count |
10
|
| Hydrogen Bond Acceptor Count |
16
|
| Rotatable Bond Count |
12
|
| Heavy Atom Count |
45
|
| Complexity |
953
|
| Defined Atom Stereocenter Count |
10
|
| SMILES |
C([C@H]1O[C@@H](OCCC2C=CC(O)=C(O)C=2)[C@H](O)[C@@H](OC(=O)/C=C/C2C=CC(O)=C(O)C=2)[C@@H]1O)O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O
|
| InChi Key |
JOIWQICOBJLMOP-HPIISDRLSA-N
|
| InChi Code |
InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)28(43-19)42-12-20-23(37)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)26(40)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23-,24+,25-,26-,27+,28-,29-/m1/s1
|
| Chemical Name |
[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
| 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 (In Vitro) |
DMSO: ~50 mg/mL (~78.1 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.95 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (1.95 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 | 1.5611 mL | 7.8053 mL | 15.6106 mL | |
| 5 mM | 0.3122 mL | 1.5611 mL | 3.1221 mL | |
| 10 mM | 0.1561 mL | 0.7805 mL | 1.5611 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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