| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| Other Sizes |
| Targets |
Phytolaccagenic acid targets inflammatory pathways, exhibiting anti-inflammatory properties. The compound also has anticancer activity, suggesting interactions with pathways regulating cell proliferation and apoptosis. Its antiviral properties indicate interactions with viral replication mechanisms. As a triterpenoid saponin, it may interact with cellular membranes and modulate immune responses. Further research is needed to identify its specific molecular targets.
|
|---|---|
| ln Vitro |
Phytolaccagenic acid exhibits anticancer, antiviral, and anti-inflammatory properties in vitro. As the main composition of quinoa saponin, it is an active compound. These in vitro findings support its potential applications in cancer research, antiviral research, and inflammation research.
|
| ln Vivo |
In vivo studies of Phytolaccagenic acid are limited as the compound is primarily used as a research chemical. Its anticancer, antiviral, and anti-inflammatory properties suggest potential for in vivo evaluation in models of cancer, viral infection, and inflammation. However, comprehensive in vivo pharmacological studies specifically targeting Phytolaccagenic acid are not well documented. The compound is intended for research use only and is not for human therapeutic use.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Phytolaccagenic acid typically involve testing its anti-inflammatory, anticancer, and antiviral activities. Anti-inflammatory activity is assessed by measuring inhibition of inflammatory mediator production. Anticancer activity is assessed using cell viability assays in cancer cell lines. Antiviral activity is assessed using viral replication assays. The compound's purity (>97%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
|
| Cell Assay |
In vitro cell-based assays for Phytolaccagenic acid involve culturing cancer cell lines to evaluate its anticancer activity. Cells are treated with varying concentrations of the compound and cell viability is assessed using MTT or similar colorimetric assays. Apoptosis is quantified using flow cytometry with Annexin V/PI staining. For antiviral studies, virus-infected cells are treated and viral replication is measured. For anti-inflammatory studies, immune cells are treated and cytokine production is measured. All experiments are performed with appropriate controls.
|
| Animal Protocol |
In vivo animal experiments for Phytolaccagenic acid would be conducted to evaluate its anticancer, antiviral, and anti-inflammatory activities. For anticancer studies, tumor-bearing animals would be treated and tumor growth monitored. For antiviral studies, infected animals would be treated and viral load assessed. For anti-inflammatory studies, animals with induced inflammation would be treated and inflammatory markers measured. Parameters assessed would include tumor growth, viral load, inflammatory markers, and tissue histopathology. Control groups receiving vehicle alone would be included for comparison.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of Phytolaccagenic acid reflect its nature as a triterpenoid saponin. It has a molecular weight of 516.70 and the molecular formula C31H48O6. The compound has a purity of >97%. As a saponin, it has limited oral bioavailability. Complete pharmacokinetic profiling including absorption, distribution, metabolism, and excretion would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Phytolaccagenic acid has been evaluated in the context of its use as a research chemical. As a naturally occurring triterpenoid saponin from Phytolacca species, it is expected to have a safety profile similar to other saponins. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
|
| References | |
| Additional Infomation |
Phytolaccagenic acid has been reported in twelve species of pokeweed (Phytolaccagenic dodecandra), Diploclisia glaucescens, and other organisms with available data.
Phytolaccagenic acid (CAS# 54928-05-1) is also known as (3beta,4alpha,20beta)-3,23-Dihydroxy-olean-12-ene-28,29-dioic acid 29-methyl ester. It has the molecular formula C31H48O6 and a molecular weight of 516.70. The compound is a naturally occurring triterpenoid saponin found in various Phytolacca species. Phytolaccagenic acid is the main composition of quinoa saponin and exhibits anticancer, antiviral, and anti-inflammatory properties. |
| Molecular Formula |
C31H48O6
|
|---|---|
| Molecular Weight |
516.71
|
| Exact Mass |
516.345
|
| CAS # |
54928-05-1
|
| PubChem CID |
13878342
|
| Appearance |
White to off-white solid
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
623.4±55.0 °C at 760 mmHg
|
| Melting Point |
143-146 °C
|
| Flash Point |
194.1±25.0 °C
|
| Vapour Pressure |
0.0±4.1 mmHg at 25°C
|
| Index of Refraction |
1.571
|
| LogP |
6.14
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
37
|
| Complexity |
1020
|
| Defined Atom Stereocenter Count |
10
|
| SMILES |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C(=O)OC
|
| InChi Key |
YAGYBNOEVSEGSL-HGDAMUQJSA-N
|
| InChi Code |
InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)/t20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1
|
| Chemical Name |
(2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
| Synonyms |
Phytolaccagenic acid
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9353 mL | 9.6766 mL | 19.3532 mL | |
| 5 mM | 0.3871 mL | 1.9353 mL | 3.8706 mL | |
| 10 mM | 0.1935 mL | 0.9677 mL | 1.9353 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.
|
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
