| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Not definitively established; believed to involve membrane disruption and apoptosis induction. As a furostanol glycoside, Protoneogracillin is thought to exert its cytotoxic effects by interacting with cell membranes, altering membrane permeability, and inducing apoptosis through the mitochondrial pathway. The sugar moiety may facilitate binding to specific membrane components (e.g., cholesterol) on cancer cells. Its antifungal activity may involve disruption of fungal cell membrane integrity and inhibition of fungal growth.
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|---|---|
| ln Vitro |
Protoneogracillin exhibits activity against K562 (IC50=6.6 μM) and P. oryzae (MMDC=94.0 μM)[1].
Protoneogracillin exhibits cytotoxic activity against K562 human chronic myelogenous leukemia cells with an IC50 of 6.6 microM. It also shows antifungal activity against the plant pathogen Pyricularia oryzae, the causative agent of rice blast disease, with a minimum molar concentration for death (MMDC) of 94.0 microM. The compound's activity profile suggests it is more potent against cancer cells than against the fungal pathogen. The exact mechanism of action is under investigation. |
| ln Vivo |
Not applicable (natural product with in vitro activity; limited in vivo data available). As a natural product, Protoneogracillin has been primarily characterized in vitro; in vivo efficacy studies in animal models are limited. Given its cytotoxic activity against K562 leukemia cells in vitro, it may have potential for further investigation as an anticancer lead compound. No published in vivo efficacy data are available for antifungal or anticancer activity.
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| Enzyme Assay |
Not applicable (natural product without a defined enzyme/receptor target). For quality control and characterization, the compound is analyzed by HPLC-UV and LC-MS. A standard solution of Protoneogracillin in methanol (0.1-1 mg/mL) is injected onto a reversed-phase C18 column (250 × 4.6 mm, 5 microm) with a mobile phase of acetonitrile/water (30:70 to 80:20 gradient) at 1.0 mL/min, with UV detection at 210 nm. The retention time and mass spectrum are recorded.
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| Cell Assay |
K562 human chronic myelogenous leukemia cells are cultured in RPMI-1640 medium supplemented with 10% FBS and 1% penicillin/streptomycin. Cells (1 × 10⁴ to 5 × 10⁴ cells/well) are seeded in 96-well plates and treated with varying concentrations of Protoneogracillin (0.1-100 microM) for 48-72 hours at 37degC, 5% CO2. Cell viability is measured by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay (absorbance at 570 nm) or CellTiter-Glo luminescent assay. The IC50 is calculated by nonlinear regression. Apoptosis is assessed by Annexin V-FITC/PI flow cytometry.
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| Animal Protocol |
Not applicable (no published in vivo animal efficacy data). For pharmacokinetic or efficacy studies, the compound would typically be formulated in a suitable vehicle (e.g., 0.5% DMSO in saline or 0.5% methylcellulose) and administered intraperitoneally or orally to tumor-bearing mice. However, no published studies have reported in vivo administration of Protoneogracillin. The compound is currently used only for in vitro research.
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| ADME/Pharmacokinetics |
Protoneogracillin is a natural product with a molecular weight of approximately 1065 g/mol. It is a furostanol glycoside containing a steroidal aglycone and a sugar chain. The compound is typically stored as a lyophilized powder at -20degC, protected from light. Solubility is limited in aqueous buffers; DMSO is the preferred solvent for stock solutions (10-50 mM). Dilution into cell culture media should be performed with <0.5% DMSO to avoid cytotoxicity.
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| Toxicity/Toxicokinetics |
Protoneogracillin is a natural product and is not intended for human therapeutic use. Toxicity data are limited to in vitro cytotoxicity assays. In K562 leukemia cells, the compound has an IC50 of 6.6 microM, indicating moderate cytotoxicity against cancer cells. Toxicity against normal human cells (e.g., fibroblasts, hepatocytes) has not been reported. Standard laboratory safety precautions (gloves, lab coat, eye protection) should be used when handling this compound.
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| References | |
| Additional Infomation |
It has been reported that yam (Dioscorea futschauensis) and onion (Allium fistulosum) contain protoporphyrin, and there is relevant data on this.
Protoneogracillin is a furostanol glycoside natural product with demonstrated in vitro cytotoxic activity against human leukemia cells (K562, IC50 = 6.6 microM) and antifungal activity against the plant pathogen Pyricularia oryzae (MMDC = 94.0 microM). It belongs to the class of steroidal saponins, which are known for their anticancer, antifungal, and hemolytic activities. Protoneogracillin is a research tool for studying the biological activities of furostanol glycosides and for lead compound discovery in oncology. The compound is for research use only. |
| Molecular Formula |
C51H84O23
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|---|---|
| Molecular Weight |
1065.19887924194
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| Exact Mass |
1064.54
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| CAS # |
191334-50-6
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| PubChem CID |
46906323
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| Appearance |
White to off-white solid powder
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| Source |
Originated from plants: Dioscoreaceae Dioscorea collettii Hook. f.
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| LogP |
-1.2
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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@]12[C@@H](C[C@@H]3O[C@@](CC[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C)(O)C(C)C31)[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](O[C@H]1[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](CO)O1)CC3)C)CC2
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| InChi Key |
GMCGZPQYTRHQRU-RDQBWXAHSA-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+/m0/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-[(3S)-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: 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: ~200 mg/mL (~187.8 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (4.69 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 (50.0 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: ≥ 5 mg/mL (4.69 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 (50.0 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 | 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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