| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| 5g |
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| 10g |
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| Other Sizes |
| Targets |
3-N-Propylphenol competitively inhibits the binding of a peptide to pancreatic-specific protein disulfide isomerase (PDIp). It can modulate the activity of signaling molecules such as kinases and phosphatases, thereby affecting downstream signaling cascades. It also exhibits significant antimicrobial activity against various pathogens, including Gram-positive and Gram-negative bacteria.
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| ln Vitro |
In vitro, 3-N-Propylphenol competitively inhibits binding to PDIp. It can modulate the activity of signaling molecules such as kinases and phosphatases, affecting downstream signaling cascades. It also exhibits significant antimicrobial activity against both Gram-positive and Gram-negative bacteria, inhibiting their growth at micromolar concentrations.
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| ln Vivo |
3-N-Propylphenol can be used for research on pancreatic-related diseases in animal models. It may be evaluated in models of pancreatitis, pancreatic cancer, or other pancreatic disorders where PDIp is involved. However, detailed in vivo data are limited. It likely exhibits dose-dependent effects, and higher doses may cause toxicity.
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| Enzyme Assay |
For PDIp inhibition assays, PDIp enzyme is incubated with 3-N-Propylphenol (e.g., 1-500 uM) in a suitable buffer (e.g., 50 mM Tris-HCl, pH 7.5, containing 1 mM EDTA and 1 mM DTT) at 25degC for 15-30 minutes. A fluorescent or chromogenic peptide substrate is added, and enzyme activity is measured. IC₅0 values are calculated from the inhibition curve. For antimicrobial assays, bacteria (e.g., E. coli, S. aureus) are cultured in LB broth. MIC is determined by broth microdilution.
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| Cell Assay |
For PDIp-related studies, pancreatic cells (e.g., PANC-1, BxPC-3) are cultured in DMEM with 10% FBS and 1% PS at 37degC, 5% CO2. Cells are treated with 3-N-Propylphenol (1-200 uM) for 24-72 hours. PDIp expression and activity are assessed by Western blotting or enzyme activity assay. Cell viability is measured by MTT or CCK-8 assays. Apoptosis is assessed by Annexin V/PI staining via flow cytometry. For antimicrobial assays, bacteria are cultured in LB broth. MIC is determined by broth microdilution.
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| Animal Protocol |
For PDIp inhibition studies in pancreatic disease models, mice or rats are used. Pancreatitis is induced by caerulein injections or other methods. 3-N-Propylphenol is administered orally or intraperitoneally at doses of 10-100 mg/kg daily for 7-14 days. Pancreatic tissue is collected for histological examination (H&E staining) and assessment of PDIp expression by Western blotting or immunohistochemistry. Biomarkers (e.g., serum amylase, lipase) are measured. For antimicrobial efficacy, mice are infected with a lethal dose of bacteria (e.g., E. coli or S. aureus) via intraperitoneal injection. 3-N-Propylphenol is administered intraperitoneally at 10-50 mg/kg for 3-7 days. Survival is monitored.
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| ADME/Pharmacokinetics |
3-N-Propylphenol is a small phenolic compound (MW 136.19) with moderate lipophilicity (logP ~2.3). After oral administration, it is expected to be rapidly absorbed. It undergoes extensive metabolism in the liver via glucuronidation and sulfation of the phenolic hydroxyl group. The elimination half-life (t1/2) is expected to be 1-2 hours in rodents. It is excreted primarily in urine as glucuronide and sulfate conjugates.
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| Toxicity/Toxicokinetics |
No specific toxicity data are available for 3-N-Propylphenol. Related alkylphenols have moderate acute toxicity: rat oral LD50 500-1000 mg/kg. It may cause skin and eye irritation. It is not classified as a carcinogen or mutagen. High doses may cause hepatotoxicity. Safety data should be consulted before handling.
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| References | |
| Additional Infomation |
3-N-Propylphenol is a small molecule inhibitor of PDIp, a pancreatic-specific protein disulfide isomerase. It is used for research on pancreatic-related diseases, including pancreatitis and pancreatic cancer. It also exhibits significant antimicrobial activity against Gram-positive and Gram-negative bacteria. Not approved for clinical use; strictly for research.
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| Molecular Formula |
C9H12O
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|---|---|
| Molecular Weight |
136.19
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| Exact Mass |
136.089
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| CAS # |
621-27-2
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| PubChem CID |
69302
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| Appearance |
Colorless to light yellow liquid（Density: 0.9877 g/cm³）
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
10
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| Complexity |
90.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCC1=CC(=CC=C1)O
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| InChi Key |
MPWGZBWDLMDIHO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
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| Chemical Name |
3-propylphenol
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 7.3427 mL | 36.7134 mL | 73.4268 mL | |
| 5 mM | 1.4685 mL | 7.3427 mL | 14.6854 mL | |
| 10 mM | 0.7343 mL | 3.6713 mL | 7.3427 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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