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| 1mg |
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| Other Sizes |
| Targets |
Benzoylalbiflorin targets inflammatory pathways involved in rheumatoid arthritis and other inflammatory conditions. As a monoterpenoid from Radix Paeoniae Alba, it modulates the production of pro-inflammatory cytokines in activated immune cells. The compound's anti-inflammatory activities are closely related to its structural characteristics as a monoterpenoid glycoside. Its mechanism of action involves the modulation of inflammatory signaling pathways, contributing to the alleviation of inflammation-associated symptoms. Further research is needed to identify its specific molecular targets.
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| ln Vitro |
In vitro studies have demonstrated that Benzoylalbiflorin exhibits anti-inflammatory effects in LPS-stimulated RAW 264.7 macrophages. The compound, along with other monoterpenoids from Radix Paeoniae Alba, has been evaluated for its ability to inhibit the expression and production of pro-inflammatory cytokines. Structure-activity relationship studies have shown that the anti-inflammatory activities of these monoterpenoids are closely related to their structural characteristics. These in vitro findings support its applications in inflammation research and rheumatoid arthritis studies.
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| ln Vivo |
In vivo studies of Benzoylalbiflorin are limited as the compound is primarily used as a research chemical. Radix Paeoniae Alba, from which Benzoylalbiflorin is isolated, has been traditionally used for the research of rheumatoid arthritis to alleviate inflammation and other symptoms. The compound's anti-inflammatory properties suggest potential for in vivo evaluation in models of inflammatory diseases. However, comprehensive in vivo pharmacological studies specifically targeting Benzoylalbiflorin are not well documented. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme inhibition assays for Benzoylalbiflorin typically involve testing its anti-inflammatory activity in LPS-stimulated RAW 264.7 macrophages. Cells are treated with varying concentrations of the compound and the expression and production of pro-inflammatory cytokines are measured using ELISA and RT-PCR. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. All assays are performed with appropriate controls and standardized protocols.
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| Cell Assay |
In vitro cell-based assays for Benzoylalbiflorin involve culturing RAW 264.7 macrophages to evaluate its anti-inflammatory effects. Cells are treated with varying concentrations of the compound and stimulated with LPS. Pro-inflammatory cytokine production (e.g., TNF-α, IL-6) is measured by ELISA. Gene expression of inflammatory mediators is assessed using quantitative RT-PCR. Cell viability is assessed using MTT or similar colorimetric assays to ensure that observed effects are not due to cytotoxicity. All experiments are performed with appropriate controls.
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| Animal Protocol |
In vivo animal experiments for Benzoylalbiflorin would be conducted to evaluate its anti-inflammatory activity in models of rheumatoid arthritis and other inflammatory diseases. Animals would be administered the compound and inflammatory markers assessed. Parameters assessed would include joint inflammation, cytokine levels, and histopathology of affected tissues. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Benzoylalbiflorin reflect its nature as a monoterpenoid glycoside. It has a molecular weight of 584.57 and the molecular formula C30H32O12. The compound is a glycoside, which affects its solubility and absorption. As a glycoside, it may be metabolized by intestinal bacteria to the aglycone. 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.
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| Toxicity/Toxicokinetics |
The toxicity profile of Benzoylalbiflorin has been evaluated in the context of its use as a research chemical. As a naturally occurring monoterpenoid from Radix Paeoniae Alba, it is expected to have a favorable safety profile at research concentrations. Radix Paeoniae Alba has a long history of use in traditional Chinese medicine. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References | |
| Additional Infomation |
Benzoylalbiflorin (CAS# 184103-78-4) is also known as Paeonivayin. It has the molecular formula C30H32O12 and a molecular weight of 584.57. The compound is a monoterpenoid glycoside isolated from the roots of Paeonia lactiflora (Radix Paeoniae Alba). It has been used in research of rheumatoid arthritis to alleviate inflammation, amenorrhea, epistaxis, and abdominal pain. Anti-inflammatory effects have been demonstrated in LPS-stimulated RAW 264.7 macrophages. The compound is intended for research use only.
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| Molecular Formula |
C30H32O12
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| Molecular Weight |
584.57
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| Exact Mass |
584.189
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| CAS # |
184103-78-4
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| PubChem CID |
95224607
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| Appearance |
White to off-white solid
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| Density |
1.52±0.1 g/cm3
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| Boiling Point |
776.5±60.0 °C at 760 mmHg
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| LogP |
0.7
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
42
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| Complexity |
1050
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| Defined Atom Stereocenter Count |
10
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| SMILES |
CC12CC(O)C3CC1(OC1OC(COC(=O)c4ccccc4)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2 |TLB:39:28:6:3.2.1,THB:29:28:6:3.2.1|
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| InChi Key |
ZHQGREQIJCCKHT-YWOOIFBKSA-N
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| InChi Code |
InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18?,19-,20-,21-,22+,23-,26+,28+,29?,30?/m0/s1
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| Chemical Name |
[(2S,3R,4R,5S,6R)-6-[[(4S,6R)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
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| Synonyms |
Paeonivayin; Benzoylalbiflorin
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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 (171.07 mM)
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| 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 | 1.7107 mL | 8.5533 mL | 17.1066 mL | |
| 5 mM | 0.3421 mL | 1.7107 mL | 3.4213 mL | |
| 10 mM | 0.1711 mL | 0.8553 mL | 1.7107 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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