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| 10mg |
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| Targets |
PI3K mTOR
Hederacolchiside A1 targets the PI3K/Akt/mTOR signaling pathway, a critical pathway involved in cell proliferation, survival, and metabolism. The compound inhibits the phosphorylation of PI3K, Akt, and mTOR, thereby suppressing the activation of this pathway. This leads to the induction of apoptosis in cancer cells. Hederacolchiside A1 also targets parasites, exhibiting anti-leishmanial activity by altering membrane integrity and potential. The compound's mechanism of action in parasites may involve disruption of membrane integrity, membrane potential, DNA synthesis, and protein content. Hederacolchiside A1 shows preferential cytotoxicity against pigmented melanoma cells, suggesting some degree of selectivity. |
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| ln Vitro |
Hederacolchiside A1 raises cleaved caspase-3 levels while decreasing Bcl-2 protein levels and the mitochondrial membrane potential[1]. Mammalian target of rapamycin (mTOR), protein kinase B (Akt), and phosphatidylinositol 3 kinase (PI3K) are all efficiently inhibited by hederacolchiside A1 [1].
In vitro, hederacolchiside A1 demonstrates significant antiproliferative activity against various cancer cell lines. The compound shows antiproliferation activity in three cancer cell lines with an IC50 value of 2.4 μM, and exhibits preferential cytotoxicity against pigmented melanoma cells. Hederacolchiside A1 induces apoptosis in cancer cells by modulating the PI3K/Akt/mTOR signaling pathway. The compound effectively inhibits the phosphorylation of PI3K, Akt, and mTOR, leading to the activation of apoptotic pathways. Hederacolchiside A1 also exhibits anti-leishmanial activity in vitro, affecting all stages of development of the parasite by altering membrane integrity and potential. The compound's antiproliferative and antiparasitic activities make it a compound of interest for further research. |
| ln Vivo |
In an H22 xenograft model, hederacolchiside A1 (3.0, 4.5, and 6.0 mg/kg, ip) can significantly suppress the weight of the tumor[1]. In xenograft tumor models in nude mice, hederacolchiside A1 (3.25, 7.5, and 15.0 mg/kg, ir) can dramatically reduce the weight of the tumor utilizing human breast cancer MCF-7 cells[1].
In vivo, hederacolchiside A1 has shown anti-leishmanial activity and affects parasite viability. The compound may also have antitumor activity in animal models, although detailed in vivo studies are limited. Hederacolchiside A1 has been studied for its effects on tumor growth in xenograft models, where it has demonstrated inhibition of tumor progression. The compound's ability to modulate the PI3K/Akt/mTOR pathway and induce apoptosis in cancer cells suggests potential as an anticancer agent. Further in vivo studies are needed to fully characterize the efficacy and safety of hederacolchiside A1 in various disease models. |
| Enzyme Assay |
In vitro enzyme assays for hederacolchiside A1 involve assessing its effects on the PI3K/Akt/mTOR signaling pathway. Cells are treated with the compound, and the phosphorylation levels of PI3K, Akt, and mTOR are assessed by Western blotting using phospho-specific antibodies. The inhibition of kinase activity can also be assessed using cell-free kinase assays with purified PI3K, Akt, or mTOR enzymes and appropriate substrates. The IC50 for kinase inhibition is determined. The compound's effects on downstream signaling targets, such as p70S6K and 4E-BP1, are also assessed. The assay includes positive controls (known PI3K/Akt/mTOR inhibitors) and negative controls (vehicle only).
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| Cell Assay |
In vitro cell-based assays for hederacolchiside A1 are performed using cancer cell lines (e.g., melanoma, breast cancer, colon cancer) and parasite cell lines (e.g., Leishmania promastigotes). For antiproliferative assays, cells are seeded in 96-well plates and treated with serial dilutions of hederacolchiside A1 (typically 0.1-50 μM) for 48-72 hours. Cell viability is assessed using MTT, CCK-8, or resazurin-based assays to determine the IC50. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining or by detecting caspase-3/7 activity. For anti-leishmanial assays, Leishmania promastigotes are cultured and treated with the compound, and parasite viability is assessed by counting motile parasites or by using viability dyes.
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| Animal Protocol |
In vivo animal studies with hederacolchiside A1 are conducted in mouse models of cancer or leishmaniasis. For antitumor studies, immunodeficient mice are implanted with human tumor xenografts, and hederacolchiside A1 is administered orally or intraperitoneally at doses ranging from 1 to 50 mg/kg. Tumor volume is measured by calipers every 2-3 days. For anti-leishmanial studies, mice are infected with Leishmania parasites, and the compound is administered to assess its effects on parasite burden in tissues. Histopathological analysis is performed to assess tissue damage. Pharmacodynamic markers including PI3K/Akt/mTOR phosphorylation are measured in tumor tissues by Western blotting or immunohistochemistry.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hederacolchiside A1 have not been extensively characterized. As a triterpenoid saponin, the compound has a high molecular weight and is likely to have poor oral bioavailability. The compound is soluble in DMSO at 83.3 mg/mL and can be formulated in appropriate vehicles for in vivo administration (e.g., 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline). The compound's absorption, distribution, metabolism, and excretion would need to be determined experimentally. Hederacolchiside A1 is typically stored at -20°C and protected from light.
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| Toxicity/Toxicokinetics |
Toxicological data for hederacolchiside A1 are limited. As a natural product, the compound is expected to have moderate toxicity. No specific toxicological studies have been reported in the literature. As a research chemical, standard safety precautions should be followed when handling hederacolchiside A1. The compound is for research use only and not for human or veterinary applications. Further toxicological studies are needed to fully characterize the safety profile of hederacolchiside A1.
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| References |
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| Additional Infomation |
Reports indicate that Serjania salzmanniana contains Hederacolchiside A1, and relevant data is available for reference.
Hederacolchiside A1 is a natural product isolated from Pulsatilla chinensis, a plant used in traditional Chinese medicine for its anti-inflammatory, antimicrobial, and antitumor properties. The compound's ability to modulate the PI3K/Akt/mTOR signaling pathway and induce apoptosis in cancer cells makes it a promising candidate for anticancer research. The PI3K/Akt/mTOR pathway is frequently dysregulated in cancer, and inhibitors of this pathway are being developed as targeted therapies. Hederacolchiside A1's anti-leishmanial activity also suggests potential for the treatment of parasitic diseases. The compound is available from chemical suppliers for research purposes. |
| Molecular Formula |
C47H76O16
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|---|---|
| Molecular Weight |
897.10
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| Exact Mass |
896.513
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| CAS # |
106577-39-3
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| PubChem CID |
11622076
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| Appearance |
White to off-white solid powder
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| Density |
1.36±0.1 g/cm3 (20 ºC 760 Torr)
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| Boiling Point |
967.2±65.0 °C at 760 mmHg
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| Melting Point |
253-255℃ (methanol , water )
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| Flash Point |
276.2±27.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.610
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| LogP |
7.36
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
63
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| Complexity |
1720
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| Defined Atom Stereocenter Count |
22
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| SMILES |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
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| InChi Key |
FYSAXYBPXKLMJO-IFECXJOTSA-N
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| InChi Code |
InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
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| Chemical Name |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-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 (111.47 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.79 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 (2.79 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 (2.79 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 | 1.1147 mL | 5.5735 mL | 11.1470 mL | |
| 5 mM | 0.2229 mL | 1.1147 mL | 2.2294 mL | |
| 10 mM | 0.1115 mL | 0.5574 mL | 1.1147 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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