| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Complement system (classical pathway). 3-Phenoxybenzaldehyde has been reported to have weak inhibitory activity on the classical pathway of complement activation as well as hemolytic activity. Its mechanism is not fully characterized but likely involves interference with complement component activation.
|
|---|---|
| ln Vitro |
In vitro, 3-Phenoxybenzaldehyde demonstrates weak inhibitory activities on the classical pathway of complement activation. It also exhibits modest hemolytic activity in standard complement assays. These effects are concentration-dependent, though the compound is primarily recognized as a synthetic intermediate rather than a potent biological modifier.
|
| ln Vivo |
No detailed in vivo studies have been reported for 3-Phenoxybenzaldehyde regarding its complement-inhibitory activity. As a small, lipophilic aromatic aldehyde, it would be expected to undergo rapid metabolic oxidation and conjugation, limiting its potential for sustained in vivo activity. The compound is not used as a therapeutic agent.
|
| Enzyme Assay |
A classical complement pathway inhibition assay is performed using sensitized sheep erythrocytes and guinea pig serum as a complement source. Serially diluted 3-Phenoxybenzaldehyde is incubated with the complement source before adding the erythrocytes. Hemolysis is quantified by measuring hemoglobin release at 415 nm. The percentage inhibition of the classical pathway is calculated relative to controls.
|
| Cell Assay |
For in vitro cellular assays, human whole blood or isolated peripheral blood mononuclear cells (PBMCs) are used to assess complement activation. Cells are treated with 3-Phenoxybenzaldehyde (0.1-1000 uM) and then stimulated with complement activators (e.g., immune complexes or LPS). Complement activation products (e.g., C3a, C5a, SC5b-9) are quantified in the supernatant by ELISA. Hemolytic activity is assessed using a standard CH50 assay.
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| Animal Protocol |
No published in vivo animal studies for complement inhibition are available. For toxicology research, rats are exposed to 3-Phenoxybenzaldehyde via inhalation (4-hour exposure) to determine LC50 values. The compound is administered intraperitoneally or orally at graded doses to assess acute toxicity, with animals monitored for 14 days for mortality, body weight changes, and clinical signs of toxicity.
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| ADME/Pharmacokinetics |
3-Phenoxybenzaldehyde has a molecular weight of 198.22 g/mol and a formula of C13H10O2. It is a lipophilic liquid (LogP 3.38) at room temperature and is insoluble in water but soluble in organic solvents (ethanol, DMSO). It is metabolized primarily via oxidation of the aldehyde group to the corresponding carboxylic acid, followed by conjugation and renal excretion.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) = 270 mg/m³/4hr The acute toxicity of 3-Phenoxybenzaldehyde has been reported: the LC50 (rat, inhalation, 4-hour exposure) is 270 mg/m3. It is also toxic via ingestion and intraperitoneal routes. The compound is a skin and eye irritant. At high doses, it may cause central nervous system depression and respiratory distress. Long-term toxicity data are not available. |
| References | |
| Additional Infomation |
Reports indicate that 3-phenoxybenzaldehyde exists in Streptomyces aureus, and relevant data are available for reference.
3-Phenoxybenzaldehyde is a research-grade chemical not approved for clinical use. It is primarily used as a synthetic intermediate in the production of pyrethroid insecticides (e.g., permethrin, cypermethrin). Its weak complement-inhibitory activity has been reported in the literature (Bioorg Med Chem Lett. 2003 Apr 7;13(7):1249-51). This product is for laboratory research only. |
| Molecular Formula |
C13H10O2
|
|---|---|
| Molecular Weight |
198.22
|
| Exact Mass |
198.068
|
| CAS # |
39515-51-0
|
| PubChem CID |
38284
|
| Appearance |
Colorless to off-white <13°C powder,>13°C liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
392.4±0.0 °C at 760 mmHg
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| Melting Point |
13 °C
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| Flash Point |
156.1±13.9 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.609
|
| LogP |
3.38
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
15
|
| Complexity |
197
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C1C([H])=C([H])C([H])=C([H])C=1[H])C1=C([H])C([H])=C([H])C(C([H])=O)=C1[H]
|
| InChi Key |
MRLGCTNJRREZHZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H
|
| Chemical Name |
3-phenoxybenzaldehyde
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO: ~100 mg/mL (~504.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (12.61 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0449 mL | 25.2245 mL | 50.4490 mL | |
| 5 mM | 1.0090 mL | 5.0449 mL | 10.0898 mL | |
| 10 mM | 0.5045 mL | 2.5224 mL | 5.0449 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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