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| Targets |
Daphnin does not have a single well-defined pharmacological target; it exhibits pleiotropic effects through multiple mechanisms. It has anti-inflammatory, antimicrobial, and anticancer properties. Its biological effects are mediated through interactions with various enzymes and cellular pathways, including those involved in oxidative stress and apoptosis. As a natural coumarin glycoside, it may interact with multiple cellular targets to exert its diverse biological activities.
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| ln Vitro |
In vitro, daphnin exhibits inhibitory effects on HepG2 and Hep3B hepatocellular carcinoma cells. It has anti-inflammatory, antimicrobial, and anticancer properties. The compound's activity is typically evaluated using cell viability and proliferation assays in cancer cell lines. Its effects on oxidative stress and apoptosis are assessed by measuring ROS levels, caspase activity, and apoptotic markers. However, specific IC50 values are not extensively reported in the available literature.
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| ln Vivo |
In vivo activity of daphnin has not been extensively characterized in published literature. As a natural product with anticancer and anti-inflammatory properties, it has potential therapeutic applications. However, specific in vivo efficacy data, including dosing regimens and animal models, are not detailed in the available literature. Further studies are needed to fully characterize its in vivo pharmacological profile. The compound is primarily a research tool for studying natural product pharmacology.
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| Enzyme Assay |
Cell-free assays for daphnin involve characterizing its chemical properties and purity. Its identity is confirmed by HPLC, NMR, and mass spectrometry. As a natural product, its antioxidant activity can be assessed using cell-free radical scavenging assays such as DPPH or ABTS. Its ability to inhibit enzymes can be evaluated using enzyme activity assays. However, specific protocols for daphnin are not extensively documented in the available literature.
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| Cell Assay |
In vitro cellular assays for daphnin typically involve treating HepG2 and Hep3B hepatocellular carcinoma cells with various concentrations of the compound. Cells are incubated for defined periods (24-72 hours). Cell viability is assessed using MTT, CellTiter-Glo, or other standard assays. Apoptosis is evaluated using Annexin V/PI staining and caspase activity assays. Anti-inflammatory activity is assessed in macrophage cell lines by measuring cytokine production. The compound is typically dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for daphnin are conducted in models of cancer and inflammation. The compound is administered via various routes including oral gavage or intraperitoneal injection. Tumor growth is monitored in cancer models. Inflammatory markers are measured in serum and tissues. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. Standard protocols for evaluating anticancer and anti-inflammatory agents would typically be employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of daphnin include a molecular weight of 340.28 g/mol and molecular formula C15H16O9. As a natural coumarin glycoside, it is expected to have moderate oral bioavailability. The compound is typically stored at appropriate conditions as a research reagent. Detailed ADME parameters such as half-life, Cmax, and AUC are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of daphnin has not been extensively characterized in published literature. As a natural product, it is generally considered to have a favorable safety profile at research doses. Standard preclinical safety studies would include acute and sub-chronic toxicity assessments in rodent models. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
Diphthyl is a β-D-glucoside. Functionally, it is associated with 7,8-dihydroxycoumarin. Diphthyl has been reported in Daphne acutiloba, Stellera chamaejasme, and other organisms with relevant data.
Daphnin is a natural product isolated from Daphne tangutica Maxim with anti-inflammatory, antimicrobial, and anticancer properties. It inhibits HepG2 and Hep3B hepatocellular carcinoma cells. Its molecular formula is C15H16O9 with a molecular weight of 340.28 g/mol. Daphnin is a research tool for studying natural product pharmacology, oxidative stress, and apoptosis. It has not entered clinical trials and is strictly for research purposes. |
| Molecular Formula |
C15H16O9
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|---|---|
| Molecular Weight |
340.28200
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| Exact Mass |
340.079
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| CAS # |
486-55-5
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| PubChem CID |
439499
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| Appearance |
Light brown to khaki solid powder
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| Density |
1.679g/cm3
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| Boiling Point |
670ºC at 760mmHg
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| Melting Point |
216-217 °C
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| Flash Point |
252.4ºC
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| Vapour Pressure |
7.24E-19mmHg at 25°C
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| Index of Refraction |
1.689
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| LogP |
-0.6
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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 |
3
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| Heavy Atom Count |
24
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| Complexity |
495
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C1=CC(=C(C2=C1C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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| InChi Key |
HOIXTKAYCMNVMY-PVOAASPHSA-N
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| InChi Code |
InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
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| Chemical Name |
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
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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 : ~33.33 mg/mL (~97.95 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.35 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 (7.35 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9388 mL | 14.6938 mL | 29.3876 mL | |
| 5 mM | 0.5878 mL | 2.9388 mL | 5.8775 mL | |
| 10 mM | 0.2939 mL | 1.4694 mL | 2.9388 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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