Phenacetin [62-44-2]
Cat# T0778-1ml
Size : 1mLx10mM(inDMSO)
Brand : TargetMol
Contact local distributor :
Phone : +1 850 650 7790
Phenacetin
(Synonyms: Acetophenetidin) Copy Product Info
Phenacetin (Acetophenetidin) is a phenylacetamide that was formerly used in ANALGESICS but nephropathy and METHEMOGLOBINEMIA led to its withdrawal from the market.
Cas No. 62-44-2
For research use only—not for human use. No sales to individuals. Use as intended only.
Select Batch
Purity:99.98%
Appearance:Solid
Color:White
COA HNMR LCMS
Product Introduction
Phenacetin AI Summary
Phenacetin exhibits a diverse array of bioactivities and pharmacokinetic properties. It demonstrates an intrinsic aqueous solubility at pH 10 with a logS0 value of -2.48 and an octanol-water partition coefficient (logP) ranging from 1.45 to 1.58, indicating moderate lipophilicity. The compound inhibits the recombinant human AKR1C3 enzyme at 50 µM with a 10.0% inhibition rate and shows significant inhibition of human CYP1A2 activity with an IC50 value of 4.9 nM. Pharmacokinetically, Phenacetin has a half-life of 0.92 hours in humans after intravenous administration, a mean residence time of 1.1 hours, and a volume of distribution at steady-state of 1.4 L/kg. The clearance rate in humans is 21.0 mL/min/kg. The compound also shows good permeability across human Caco-2 cells, with logPapp values of -4.59 and -4.49, indicating efficient transport characteristics. In terms of hepatic metabolism, Phenacetin exhibits moderate clearance rates—19.2 mL/min/kg in human hepatocytes (logCL = 1.283) and shows intrinsic clearance in both human and rat liver microsomes. It also exhibits moderate to high metabolic stability, with a half-life of 0.4417 hours in human liver microsomes at 100 µM. Additionally, the compound demonstrates inhibitory effects on drug transporters, including OATP1B1 and OATP1B3, with significant inhibition rates of 55.67% and 98.3%, respectively. Phenacetin has shown moderate hepatotoxicity characterized by elevated serum ALT, AST, and ALP, indicative of potential liver damage. Furthermore, it displays a DILI positive/negative value of 1.0, suggesting propensity for drug-induced liver injury. It shows substrate activity at AADAC enzyme and various cytochrome P450 enzymes, including CYP1A2 and CYP46A1, with increased cholesterol hydroxylation by CYP46A1 observed at 43 µM. Additionally, the compound exerts antiviral activity against SARS-CoV-2, showing inhibition of induced cytotoxicity in VERO-6 cells and Caco-2 cells, although with limited potency and high IC50 values. Finally, Phenacetin does not inhibit human BSEP, MRP2, MRP3, or MRP4 significantly, with IC50 values exceeding 133,000 nM. Its overall bioactivity profiles suggest involvement in diverse biological pathways and potential therapeutic applications, albeit with considerations for hepatotoxic risks and moderate metabolic clearance rates..
Note: Summary generated by AI. Data source: ChEMBL 
Bioactivity
Chemical Properties
Storage & Solubility Information
| Description | Phenacetin (Acetophenetidin) is a phenylacetamide that was formerly used in ANALGESICS but nephropathy and METHEMOGLOBINEMIA led to its withdrawal from the market. |
| Targets & IC50 | COX-3:102 μM (IC50) |
| Synonyms | Acetophenetidin |
| Molecular Weight | 179.22 |
| Formula | C10H13NO2 |
| Cas No. | 62-44-2 |
| Smiles | N(C(C)=O)C1=CC=C(OCC)C=C1 |
| Relative Density. | 1.099 g/cm3 |
| Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year Shipping with blue ice/Shipping at ambient temperature. | |||||||||||||||||||||||||||||||||||
| Solubility Information | H2O: < 1 mg/mL (insoluble or slightly soluble) DMSO: 125 mg/mL (697.47 mM), Sonication is recommended.  Ethanol: 34 mg/mL (189.71 mM), Sonication is recommended. | |||||||||||||||||||||||||||||||||||
| In Vivo Formulation | 10% DMSO+40% PEG300+5% Tween 80+45% Saline: 2 mg/mL (11.16 mM), Sonication is recommended. Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions. | |||||||||||||||||||||||||||||||||||
Solution Preparation Table | ||||||||||||||||||||||||||||||||||||
Ethanol/DMSO
Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density. | ||||||||||||||||||||||||||||||||||||