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4-Propionamidophenol

Cat No.:V40289 Purity: ≥98%
4-Propionamidophenol is an analog of p-acetamidophenol.
4-Propionamidophenol
4-Propionamidophenol Chemical Structure CAS No.: 1693-37-4
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
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250mg
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Product Description
4-Propionamidophenol is an analog of p-acetamidophenol.
4-Propionamidophenol is a p-acetamidophenol analog with a molecular weight of 165.19 g/mol and a molecular formula of C₉H₁₁NO₂. It is an important intermediate of alkanolamine derivatives with beta-adrenergic blocking activity. It can be used in the study of diseases such as heart disease and hypertension.
Biological Activity I Assay Protocols (From Reference)
Targets
4-Propionamidophenol does not have a single defined pharmacological target but is a chemical intermediate. It is an important intermediate of alkanolamine derivatives with beta-adrenergic blocking activity. Beta-adrenergic blocking agents target β-adrenergic receptors, which are involved in the regulation of heart rate and blood pressure.
ln Vitro
4-Propionamidophenol is primarily used as a chemical intermediate rather than for its pharmacological activity. It is an analog of p-acetamidophenol. It can be used in the study of diseases such as heart disease and hypertension, likely as a precursor or reference compound.
ln Vivo
In vivo, 4-Propionamidophenol is not used as a therapeutic agent but as a research chemical. Its potential in vivo effects are related to its role as an intermediate for compounds with beta-adrenergic blocking activity, which could affect heart rate and blood pressure. However, the compound itself is not a drug and is used for research and synthesis purposes.
Enzyme Assay
In vitro assays for 4-Propionamidophenol typically involve its use as a reference standard or chemical intermediate. It can be used in analytical method development for the quantification of related compounds. Its physicochemical properties, such as solubility and stability, can be characterized using standard analytical techniques.
Cell Assay
For in vitro cell-based assays, 4-Propionamidophenol can be used to study the effects of its derivatives or as a control compound in studies of beta-adrenergic signaling. However, its primary use is as a chemical intermediate. Cell viability and other cellular effects can be assessed using standard assays if needed.
Animal Protocol
In vivo animal studies with 4-Propionamidophenol are limited, as the compound is primarily used as a chemical intermediate. It could be used in studies to evaluate the pharmacology of its derivatives with beta-adrenergic blocking activity. However, specific published protocols are limited. The compound is not intended for therapeutic use.
ADME/Pharmacokinetics
4-Propionamidophenol (CAS: 1693-37-4) has a molecular weight of 165.19 g/mol and a molecular formula of C₉H₁₁NO₂. Appearance: Off-white to gray solid powder. Melting Point: 170-172ºC. LogP: 0.87. Storage: Powder -20°C 3 years, 4°C 2 years. Solubility: DMSO ~250 mg/mL.
Toxicity/Toxicokinetics
4-Propionamidophenol is a research compound and is not approved for human therapeutic use. It is considered to have a low toxicity profile as a chemical intermediate. Standard laboratory safety precautions should be followed when handling the compound. It is not intended for human therapeutic use.
References

[1]. Identification and characterization of vilazodone metabolites in rats and microsomes by ultrahigh-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry. Rapid Communications in Mass Spectrometry. 2017. 31(23), 1974–1984.

Additional Infomation
4-Propionamidophenol is a p-acetamidophenol analog and an important intermediate of alkanolamine derivatives with beta-adrenergic blocking activity. It can be used in the study of diseases such as heart disease and hypertension. It is not an FDA-approved drug and is intended for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H11NO2
Molecular Weight
165.18914
Exact Mass
165.078
CAS #
1693-37-4
PubChem CID
74325
Appearance
Off-white to gray solid powder
Density
1.2±0.1 g/cm3
Boiling Point
389.9±25.0 °C at 760 mmHg
Melting Point
170-172ºC
Flash Point
189.6±23.2 °C
Vapour Pressure
0.0±0.9 mmHg at 25°C
Index of Refraction
1.600
LogP
0.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Heavy Atom Count
12
Complexity
151
Defined Atom Stereocenter Count
0
SMILES
CCC(=O)NC1=CC=C(C=C1)O
InChi Key
SSMYTAQHMUHRSK-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
Chemical Name
N-(4-hydroxyphenyl)propanamide
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 Data
Solubility (In Vitro)
DMSO : ~250 mg/mL (~1513.41 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (12.59 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 20.8 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.0536 mL 30.2682 mL 60.5364 mL
5 mM 1.2107 mL 6.0536 mL 12.1073 mL
10 mM 0.6054 mL 3.0268 mL 6.0536 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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