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Phenacetin

Name: Phenacetin
Brand: TargetMol
SKU: T0778
Price: 29 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T0778Cas No. 62-44-2

Alias Acetophenetidin

Phenacetin (Acetophenetidin) is a phenylacetamide that was formerly used in ANALGESICS but nephropathy and METHEMOGLOBINEMIA led to its withdrawal from the market.

Phenacetin

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Purity: 99.98%

Catalog No. T0778Alias AcetophenetidinCas No. 62-44-2

Phenacetin (Acetophenetidin) is a phenylacetamide that was formerly used in ANALGESICS but nephropathy and METHEMOGLOBINEMIA led to its withdrawal from the market.

Pack Size	Price	USA Warehouse	Global Warehouse
5 g	$33	-	In Stock
10 g	$40	-	In Stock
25 g	$64	-	In Stock
1 mL x 10 mM (in DMSO)	$29	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

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Batch Information

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Purity:99.98%

Appearance:Solid

Color:White

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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

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

Chemical Properties

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 & Solubility Information

Storage

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

	1mg	5mg	10mg	50mg
1 mM	5.5797 mL	27.8987 mL	55.7973 mL	278.9867 mL
5 mM	1.1159 mL	5.5797 mL	11.1595 mL	55.7973 mL
10 mM	0.5580 mL	2.7899 mL	5.5797 mL	27.8987 mL
20 mM	0.2790 mL	1.3949 mL	2.7899 mL	13.9493 mL
50 mM	0.1116 mL	0.5580 mL	1.1159 mL	5.5797 mL
100 mM	0.0558 mL	0.2790 mL	0.5580 mL	2.7899 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc