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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
L-type calcium channel; H1 Receptor
Psoralenoside targets histamine H1 receptors, calmodulin, and voltage-gated L-type calcium channels. It exhibits high binding affinities against these targets, with E-values ≥ -6.5 Kcal/mol. The compound shows estrogen-like activity. Its anti-inflammatory, anti-tumor, and anti-oxidant properties are mediated through its interactions with these molecular targets. Psoralenoside's ability to modulate calcium signaling and histamine receptors contributes to its diverse pharmacological effects. |
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| ln Vitro |
In vitro, psoralenoside exhibits high binding affinities against histaminergic H1, calmodulin, and voltage-gated L-type calcium channels. It shows estrogen-like activity and osteoblastic proliferation accelerating activity. The compound has antitumor effects and antibacterial activity. It has anti-inflammatory, anti-tumor, and anti-oxidant properties. In cell-based assays, psoralenoside treatment results in modulation of calcium signaling, inhibition of inflammatory responses, and inhibition of cancer cell proliferation.
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| ln Vivo |
In vivo, psoralenoside has been studied for its estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects, and antibacterial activity. However, detailed in vivo efficacy data are limited. The compound is a natural product from Psoralea corylifolia used in traditional medicine. For in vivo studies, psoralenoside can be formulated in appropriate vehicles for administration. Comprehensive in vivo pharmacokinetic and pharmacodynamic studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro receptor binding assays for psoralenoside involve measuring its binding affinity to histamine H1 receptors, calmodulin, and voltage-gated L-type calcium channels. The receptors are incubated with a radiolabeled ligand and varying concentrations of psoralenoside. The displacement of the radiolabeled ligand is measured, and the binding affinity (E-value) is calculated. Molecular docking studies are used to predict binding interactions. These assays confirm the compound's mechanism as a multi-target ligand.
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| Cell Assay |
In vitro cell-based assays for psoralenoside evaluate its anti-inflammatory, anti-tumor, and osteoblastic proliferation effects. Cells such as osteoblasts, cancer cells, and immune cells are cultured and treated with psoralenoside. Osteoblast proliferation is assessed using MTT or Alamar Blue assays. Anti-inflammatory effects are evaluated by measuring cytokine production in immune cells stimulated with LPS. Antitumor effects are assessed by measuring cancer cell viability and apoptosis. These assays confirm the compound's diverse pharmacological activities.
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| Animal Protocol |
In vivo animal experiments for psoralenoside have not been extensively reported. The compound is a natural product from Psoralea corylifolia. For potential in vivo studies, psoralenoside can be administered orally or via intraperitoneal injection in animal models of inflammation, cancer, or bone diseases. The compound's estrogen-like activity could be evaluated in ovariectomized animal models. Comprehensive in vivo studies are needed to fully characterize its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) data for psoralenoside are limited. The compound has a molecular weight of 366.32 g/mol and a molecular formula of C₁₇H₁₈O₉. A UPLC-MS/MS method has been developed for in vivo and in vitro pharmacokinetic studies of psoralenoside from Psoralea corylifolia extract. The compound's metabolic stability, half-life, and bioavailability have not been fully characterized. Comprehensive ADME studies are needed.
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| Toxicity/Toxicokinetics |
The toxicity profile of psoralenoside has not been extensively characterized. As a natural product, it is generally considered to have low toxicity. However, the compound should be handled with appropriate safety precautions in the laboratory. For research use only, not for human therapeutic use without proper authorization. Comprehensive toxicological studies are needed to fully characterize the safety profile of psoralenoside.
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| References |
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| Additional Infomation |
Reports indicate that psoralen is found in Cullen corylifolium, and relevant data is available for reference.
Psoralenoside is a benzofuran glycoside isolated from the fruits of Psoralea corylifolia. It exhibits high binding affinities against histaminergic H1, calmodulin, and voltage-gated L-type calcium channels. Psoralenoside shows estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects, and antibacterial activity. It has anti-inflammatory, anti-tumor, and anti-oxidant properties. Psoralenoside is a natural product research tool and has not progressed to clinical trials. |
| Molecular Formula |
C17H18O9
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|---|---|
| Molecular Weight |
366.322
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| Exact Mass |
366.095
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| Elemental Analysis |
C, 55.74; H, 4.95; O, 39.31
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| CAS # |
905954-17-8
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| PubChem CID |
11508879
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
662.4±55.0 °C at 760 mmHg
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| Flash Point |
354.4±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.711
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| LogP |
-0.02
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
524
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| Defined Atom Stereocenter Count |
5
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| SMILES |
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C2OC=CC2=CC=1/C=C\C(=O)O
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| InChi Key |
XRLPSAYLYDMYGX-UETKAVOHSA-N
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| InChi Code |
InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,17-/m1/s1
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| Chemical Name |
(Z)-3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid
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| Synonyms |
Psoralenoside
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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 (~273 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.82 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 (6.82 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 (6.82 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 | 2.7299 mL | 13.6493 mL | 27.2985 mL | |
| 5 mM | 0.5460 mL | 2.7299 mL | 5.4597 mL | |
| 10 mM | 0.2730 mL | 1.3649 mL | 2.7299 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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