| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Isoescin IB does not have a well-defined single pharmacological target, as it is a natural saponin with multiple biological activities. Escin, the mixture of saponins that includes Isoescin IB, is known to have anti-inflammatory, anti-edematous, and venotonic properties. The mechanisms of action are complex and may involve inhibition of inflammatory mediators, modulation of ion channels, and protection of vascular endothelial cells. Isoescin IB may also interact with various enzymes and receptors involved in inflammation and vascular function. However, its specific binding targets have not been fully characterized.
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| ln Vitro |
β-Aescin (mainly composed of aescin Ia and aescin Ib) is the primary active component of extract made from horse chestnut seeds. β-Aescin has the ability to suppress the growth and/or trigger programmed cell death in a number of cancer cell types, such as A549, HT-29, HCC, OVCAR3, and H-Ras 5RP7 cells. β-Aescin exhibits potential as a chemopreventive drug, particularly in the case of cancers linked to inflammatory reactions [1]. α-aescin, which consists primarily of isoescin Ia and isoescin Ib, is a small component of aescin with modest biological activity [1].
Isoescin IB does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is a natural product with complex biological activities. Studies on Isoescin IB typically involve evaluating its anti-inflammatory, anti-edematous, or vasoprotective effects in cellular models. The compound's activity may be related to its ability to modulate inflammatory mediators, such as cytokines and prostaglandins. However, detailed in vitro activity data for Isoescin IB specifically are limited, as most studies focus on the escin mixture rather than the individual isomers. |
| ln Vivo |
In vivo activity of Isoescin IB is related to its role as a component of escin, which is used clinically for its anti-inflammatory and vasoprotective properties. Escin has been shown to reduce edema, improve venous tone, and have anti-inflammatory effects in animal models and clinical studies. However, the specific in vivo effects of Isoescin IB as an isolated compound have not been extensively characterized. Most studies focus on the escin mixture, which contains multiple saponins including Isoescin IB. The compound's activity may contribute to the overall effects of escin.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for Isoescin IB are not typical, as it is a natural product with complex biological activities rather than a well-defined pharmacologically active compound. Studies may involve measuring its effects on inflammatory mediators, such as cytokine production or enzyme activity, in cell-based assays. The compound can also be used as a reference standard in analytical chemistry for the identification and quantification of saponins in plant extracts. Its chemical properties, including its complex glycoside structure, are characterized using standard analytical methods such as HPLC and mass spectrometry.
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| Cell Assay |
In vitro cellular experiments for Isoescin IB typically involve studying its effects on inflammatory responses in cell lines such as macrophages or endothelial cells. Cells are treated with the compound, and the production of inflammatory mediators such as cytokines, prostaglandins, or nitric oxide is measured. The compound's effects on cell viability and proliferation are also assessed. The anti-inflammatory and vasoprotective activities of Isoescin IB are evaluated in these cellular models. However, detailed studies on Isoescin IB specifically are limited, as most research focuses on the escin mixture.
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| Animal Protocol |
In vivo animal experiments for Isoescin IB are not typical, as it is a natural product component rather than a drug candidate. However, studies may involve administering escin or its components to animals to evaluate their anti-inflammatory, anti-edematous, or vasoprotective effects. Animal models of inflammation, edema, or venous insufficiency are used to assess the efficacy of escin. The effects of Isoescin IB as an individual compound have not been extensively studied in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Isoescin IB have not been extensively characterized, as it is a natural product component rather than a drug candidate. As a saponin with a high molecular weight (1131.26) and complex glycoside structure, Isoescin IB is expected to have poor oral bioavailability and may be poorly absorbed from the gastrointestinal tract. Detailed studies on its absorption, distribution, metabolism, and excretion are limited. Most pharmacokinetic studies focus on the escin mixture rather than the individual isomers.
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| Toxicity/Toxicokinetics |
Toxicological data for Isoescin IB are limited, as it is a natural product component rather than a drug candidate. Saponins can have hemolytic activity and may cause gastrointestinal irritation at high doses. However, the specific toxicity profile of Isoescin IB has not been extensively characterized. Standard safety precautions for handling natural products apply, including the use of personal protective equipment and working in a well-ventilated area. The compound is not intended for human consumption.
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| References | |
| Additional Infomation |
It has been reported that the horse chestnut (Aesculus chinensis) and the European horse chestnut (Aesculus hippocastanum) contain isoechospinol Ib, and relevant data are available.
See also: Horse chestnut (partial). Isoescin IB is a research compound that has not entered clinical trials or received regulatory approval for therapeutic use as a single agent. It is a component of escin, a mixture of saponins that is used clinically in some countries for its anti-inflammatory and vasoprotective properties. Isoescin IB is used in research to study the pharmacological activities of saponins and to understand the structure-activity relationships of escin components. Further research is needed to fully elucidate its biological activities and potential therapeutic applications. |
| Molecular Formula |
C55H86O24
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|---|---|
| Molecular Weight |
1131.2570
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| Exact Mass |
1130.55
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| CAS # |
219944-46-4
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| PubChem CID |
6476033
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
1148.1±65.0 °C at 760 mmHg
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| Flash Point |
314.2±27.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.628
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| LogP |
2.17
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| Hydrogen Bond Donor Count |
13
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| Hydrogen Bond Acceptor Count |
24
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
79
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| Complexity |
2300
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| Defined Atom Stereocenter Count |
27
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| SMILES |
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O
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| InChi Key |
YOSIWGSGLDDTHJ-OXPBSUTMSA-N
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| InChi Code |
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/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)-8,9-dihydroxy-4-(hydroxymethyl)-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-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-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) |
DMSO : ~100 mg/mL (~88.40 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.21 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 (2.21 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (2.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.8840 mL | 4.4199 mL | 8.8397 mL | |
| 5 mM | 0.1768 mL | 0.8840 mL | 1.7679 mL | |
| 10 mM | 0.0884 mL | 0.4420 mL | 0.8840 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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