| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
PDE4D2 (phosphodiesterase 4D2); cAMP signaling pathway; bacterial targets. Dihydrosinapyl alcohol inhibits the PDE4D2 catalytic domain with an IC₅₀ > 20,000 nM, suggesting potential activity in modulating the cAMP signaling pathway. PDE4 is a key enzyme in the degradation of cAMP, and its inhibition can affect inflammatory responses. The compound also shows antibacterial activity against Pseudomonas aeruginosa and Acinetobacter baumannii.
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|---|---|
| ln Vitro |
Dihydrosinapyl alcohol inhibits the PDE4D2 catalytic domain with an IC₅₀ > 20,000 nM. It shows antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (37.7% inhibition) and PAO397 (9.32% inhibition), and against Acinetobacter baumannii ATCC 19606 (1.23% inhibition). The compound has an inhibitory effect on inflammatory diseases by decreasing prostaglandin E2 production.
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| ln Vivo |
In vivo studies of dihydrosinapyl alcohol are limited. As a PDE4 inhibitor with antibacterial and anti-inflammatory activities, it has potential for evaluation in animal models of inflammation and bacterial infection. Its ability to modulate cAMP signaling suggests potential effects on immune responses and inflammation. Further in vivo studies are needed to characterize its pharmacokinetic and pharmacodynamic properties, as well as its efficacy and safety profile.
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| Enzyme Assay |
Non-cell-based assays for dihydrosinapyl alcohol include PDE4D2 enzyme inhibition assays using purified enzyme. The enzyme is incubated with cAMP substrate in the presence of various concentrations of the compound, and PDE activity is measured by detecting the hydrolysis product. The IC₅₀ > 20,000 nM is determined from the dose-response curve. Antibacterial activity is assessed using broth microdilution to determine inhibition percentages.
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| Cell Assay |
Cell-based assays for dihydrosinapyl alcohol use various cell lines to assess PDE4 inhibition and its effects on cAMP signaling. Cells are treated with the compound at various concentrations, and intracellular cAMP levels are measured by ELISA. For antibacterial studies, bacterial cultures are treated with the compound and growth inhibition is measured. For anti-inflammatory studies, macrophage cell lines are stimulated with LPS and treated with the compound, and PGE₂ production is measured.
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| Animal Protocol |
In vivo studies of dihydrosinapyl alcohol are limited. Based on its biological activities, potential animal models include: models of inflammation for evaluating anti-inflammatory effects; and infection models for evaluating antibacterial effects. Standard protocols for these models involve administration of the compound followed by measurement of relevant endpoints.
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| ADME/Pharmacokinetics |
Dihydrosinapyl alcohol has a molecular formula of C₁₁H₁₆O₄ and a molecular weight of 212.24 g/mol. It is a natural phenolic compound derived from lignocellulose. The compound is soluble in DMSO (55 mg/mL). It should be stored under recommended conditions. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for dihydrosinapyl alcohol are limited. As a natural phenolic compound, it is generally considered to have low toxicity. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
4-(3-hydroxypropyl)-2,6-dimethoxyphenol has been reported in Jurinea leptoloba, Helianthus annuus, and other organisms with available data.
Dihydrosinapyl alcohol is a natural phenolic compound derived from lignocellulose. It inhibits the PDE4D2 catalytic domain with an IC₅₀ > 20,000 nM and shows antibacterial activity against Pseudomonas aeruginosa and Acinetobacter baumannii. It has an inhibitory effect on inflammatory diseases by decreasing prostaglandin E2 production. It is for research use only. |
| Molecular Formula |
C11H16O4
|
|---|---|
| Molecular Weight |
212.24
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| Exact Mass |
212.104
|
| CAS # |
20736-25-8
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| PubChem CID |
529893
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| Appearance |
Off-white to light yellow solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
371.7±37.0 °C at 760 mmHg
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| Flash Point |
178.6±26.5 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.539
|
| LogP |
0.43
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
15
|
| Complexity |
160
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1C(=C(C([H])=C(C=1[H])C([H])([H])C([H])([H])C([H])([H])O[H])OC([H])([H])[H])O[H]
|
| InChi Key |
PHOPGVYKZWPIGA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
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| Chemical Name |
4-(3-hydroxypropyl)-2,6-dimethoxyphenol
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| Synonyms |
Dihydrosinapyl alcohol
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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 |
| 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 (471.16 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.78 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 (11.78 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 (11.78 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 | 4.7116 mL | 23.5582 mL | 47.1165 mL | |
| 5 mM | 0.9423 mL | 4.7116 mL | 9.4233 mL | |
| 10 mM | 0.4712 mL | 2.3558 mL | 4.7116 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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