| Size | Price | Stock | Qty |
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| Targets |
Protogracillin does not have a single, well-defined molecular target like a receptor or enzyme. Its activity is attributed to its interaction with multiple cellular components. It is known to inhibit platelet aggregation, which is a key step in thrombosis, suggesting it may interact with platelet surface receptors or intracellular signaling pathways involved in platelet activation. Furthermore, its cytotoxic activity against cancer cell lines (e.g., K562) indicates it may affect cell viability and proliferation through mechanisms like apoptosis induction or cell cycle arrest.
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| ln Vitro |
In vitro, Protogracillin exhibits significant cytotoxic activity. It is cytotoxic to K562 leukemia cells with an IC50 of 3.3 µM. Beyond its cytotoxic properties, it shows a range of other in vitro activities, including antimicrobial, antiangiogenic, and immunostimulating effects. These diverse activities highlight its potential as a multi-targeted natural compound, although the specific mechanisms behind these effects require further elucidation. Its ability to inhibit platelet aggregation (PAG) has also been observed in vitro.
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| ln Vivo |
The in vivo activity of Protogracillin is primarily associated with its anti-thrombotic effects. Studies have shown that steroidal saponins from DZW, including Protogracillin, have the potential to reduce the risk of cardiovascular diseases through their anti-thrombotic action. This suggests that the compound is effective in animal models of thrombosis. However, detailed in vivo data, such as efficacy in specific disease models, dosing regimens, and pharmacokinetic profiles, are not extensively documented in the available literature. Its anticancer potential has also been reported in vivo.
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| Enzyme Assay |
Assays for Protogracillin's activity are often based on its biological effects. For its anti-thrombotic activity, a common in vitro assay is platelet aggregation. In this assay, platelet-rich plasma (PRP) is isolated from blood and incubated with Protogracillin at various concentrations. Aggregation is then induced by agonists like ADP, collagen, or thrombin, and the inhibition of aggregation is measured using an aggregometer. For its cytotoxic activity, cell-free enzymatic assays are less common; instead, its ability to inhibit specific enzymes like kinases or proteases could be measured, but such specific targets are not well-defined. Its antioxidant activity could be assessed in cell-free systems using assays like DPPH radical scavenging.
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| Cell Assay |
The in vitro cellular activity of Protogracillin is typically evaluated using cancer cell lines. Cells, such as the K562 human leukemia cell line, are cultured and treated with varying concentrations of Protogracillin for a defined period, usually 48-72 hours. Cell viability is then measured using standard assays such as MTT, CCK-8, or resazurin reduction, which quantify the metabolic activity of living cells. The IC50 value, which is the concentration required to inhibit cell growth by 50%, is calculated from the dose-response curve. For K562 cells, the reported IC50 is 3.3 µM. These experiments help determine the compound's potency and efficacy against specific cancer types.
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| Animal Protocol |
In vivo animal studies for Protogracillin would typically involve models of thrombosis or cancer. For thrombosis studies, a common model is the mouse or rat tail-vein thrombosis model, where a thrombus is induced by an injection of a thrombotic agent. The test compound is administered orally or intravenously, and the reduction in thrombus formation is measured. For anticancer activity, xenograft models using immunodeficient mice implanted with human tumor cells (e.g., K562) are used. Tumor growth is monitored, and the effect of Protogracillin treatment on tumor volume and weight is assessed. However, specific protocols for Protogracillin are not detailed in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) data for Protogracillin, a natural saponin, is limited. Saponins are generally known to have poor oral bioavailability due to their high molecular weight and polarity. They are often poorly absorbed from the gastrointestinal tract and may be metabolized by gut microbiota. Information on its absorption, distribution, metabolism, and excretion (ADME) is not readily available. As a glycoside, it is likely that its sugar moieties are cleaved, affecting its activity and half-life. For research purposes, it is stored as a powder at -20°C for up to three years.
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| Toxicity/Toxicokinetics |
Toxicological data for Protogracillin is not well-documented in the available literature. As a natural saponin, its toxicity profile would be a critical factor in its development as a therapeutic agent. Saponins can have hemolytic activity, meaning they can cause the rupture of red blood cells, which is a common concern for this class of compounds. The specific LD50, organ toxicity, and safety profile of Protogracillin have not been established in published studies. Its use is strictly for research purposes, and it is not intended for human consumption.
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| References | |
| Additional Infomation |
Protogracillin is a natural product with a long history of use in traditional medicine, as it is a component of plants like Dioscorea zingiberensis and Paris polyphylla. It is one of many bioactive saponins isolated from these sources. Its diverse range of reported biological activities, including anticancer, antitumor, cytotoxic, anthelmintic, antimicrobial, antiangiogenic, immunostimulating, contractile, and hemostatic effects, makes it a compound of interest for drug discovery. However, it has not advanced to clinical trials or received approval for therapeutic use. All information is for research reference and not for diagnostic or clinical use.
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| Molecular Formula |
C51H84O23
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|---|---|
| Molecular Weight |
1065.1989
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| Exact Mass |
1064.54
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| CAS # |
54848-30-5
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| PubChem CID |
441892
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.640
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| LogP |
0.81
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| Hydrogen Bond Donor Count |
14
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| Hydrogen Bond Acceptor Count |
23
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
74
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| Complexity |
1920
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| Defined Atom Stereocenter Count |
31
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| SMILES |
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O
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| InChi Key |
GMCGZPQYTRHQRU-DKWQWWTLSA-N
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| InChi Code |
InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
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| Chemical Name |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~93.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.35 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 (2.35 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 (2.35 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 | 0.9388 mL | 4.6940 mL | 9.3879 mL | |
| 5 mM | 0.1878 mL | 0.9388 mL | 1.8776 mL | |
| 10 mM | 0.0939 mL | 0.4694 mL | 0.9388 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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