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4-Nitrophenyl stearate

Cat No.:V66253 Purity: ≥98%
4-Nitrophenyl stearate, which is an ester formed by the condensation of stearic acid and 4-nitrophenol, is often used as a substrate for enzymatic assays, where the hydrolysis of ester bonds by esterases and lipases can be measured by absorbance or ratio In addition, 4-Nitrophenyl stearate has been used as a model compound to study the enzymatic activity and selectivity of lipases and esterases from various sources.
4-Nitrophenyl stearate
4-Nitrophenyl stearate Chemical Structure CAS No.: 14617-86-8
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
4-Nitrophenyl stearate, which is an ester formed by the condensation of stearic acid and 4-nitrophenol, is often used as a substrate for enzymatic assays, where the hydrolysis of ester bonds by esterases and lipases can be measured by absorbance or ratio In addition, 4-Nitrophenyl stearate has been used as a model compound to study the enzymatic activity and selectivity of lipases and esterases from various sources. The long hydrophobic tail of this molecule makes it lipophilic. Good solubility in the environment makes it a useful probe for studying lipid metabolism.
4-Nitrophenyl stearate is an ester with the molecular formula C₂₄H₃₉NO₄ and a molecular weight of 405.57 g/mol. It is a white to off-white crystalline solid featuring a stearic acid moiety esterified to 4-nitrophenol. The compound is used as a substrate in enzymatic assays for lipases and esterases, as the hydrolysis of the ester bond releases 4-nitrophenol, which can be detected spectrophotometrically. It is also used as a research chemical in studies of lipid metabolism. It is intended for research use only and is not approved for human therapeutic applications.
Biological Activity I Assay Protocols (From Reference)
Targets
4-Nitrophenyl stearate targets lipases and esterases, functioning as a chromogenic substrate for these enzymes. The compound is hydrolyzed by lipases and esterases to release 4-nitrophenol, which can be detected by its yellow color at alkaline pH. It is not intended to exert pharmacological effects. Its utility lies in its use as a substrate for enzyme activity assays.
ln Vitro
4-Nitrophenyl stearate is a biochemical reagent that can be utilized in life science research as an organic compound or biological material.
In vitro, 4-Nitrophenyl stearate is hydrolyzed by lipases and esterases to release 4-nitrophenol. The rate of hydrolysis is measured spectrophotometrically at 405 nm, providing a measure of enzyme activity. The compound's activity is assessed in enzyme assays using purified lipases or esterases, or using biological samples containing these enzymes.
ln Vivo
4-Nitrophenyl stearate is not used for in vivo pharmacological activity assessment as a drug compound. Its primary applications are as a chromogenic substrate for lipase and esterase assays. The compound is not intended to be administered for therapeutic purposes. Its use is limited to in vitro biochemical assays.
Enzyme Assay
In vitro enzyme assays for 4-Nitrophenyl stearate typically involve incubating the compound with lipase or esterase enzymes in a buffered solution. The hydrolysis of the ester bond releases 4-nitrophenol, which is detected spectrophotometrically at 405 nm. The reaction is monitored over time to determine enzyme activity. Standard protocols for lipase and esterase assays are employed.
Cell Assay
4-Nitrophenyl stearate is not used in cell-based assays as a test compound for pharmacological effects. Its primary applications are as a chromogenic substrate in enzyme assays. The compound may be used in cell-based assays to measure lipase or esterase activity in cell lysates or culture media. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed.
Animal Protocol
4-Nitrophenyl stearate is not used in animal studies as a pharmacological agent. Its primary applications are as a chromogenic substrate for enzyme assays. The compound is not intended to be administered to animals for efficacy evaluations. Its use is limited to in vitro biochemical assays.
ADME/Pharmacokinetics
4-Nitrophenyl stearate has a molecular weight of 405.57 g/mol and a molecular formula of C₂₄H₃₉NO₄. It is a white to off-white crystalline solid. The compound is used as a chromogenic substrate for lipase and esterase assays. It is typically stored under standard laboratory conditions, protected from moisture and light. It is soluble in organic solvents such as ethanol, methanol, and dichloromethane.
Toxicity/Toxicokinetics
4-Nitrophenyl stearate is intended for research use only and is not approved for human therapeutic applications. As a research chemical, comprehensive toxicological data are not extensively documented in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
Additional Infomation
4-Nitrophenyl stearate (CAS#: 14617-86-8) has a molecular formula of C₂₄H₃₉NO₄ and a molecular weight of 405.57 g/mol. It is a chromogenic substrate for lipases and esterases, releasing 4-nitrophenol upon hydrolysis. This compound is not a drug and has not undergone clinical trials.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C24H39NO4
Molecular Weight
405.57
Exact Mass
405.288
CAS #
14617-86-8
PubChem CID
4386004
Appearance
White to off-white solid powder
Density
1.006g/cm3
Boiling Point
508ºC at 760mmHg
Melting Point
68-72ºC
Flash Point
163.3ºC
Vapour Pressure
1.94E-10mmHg at 25°C
Index of Refraction
1.498
LogP
8.284
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
18
Heavy Atom Count
29
Complexity
414
Defined Atom Stereocenter Count
0
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChi Key
HAIZAZONHOVLEK-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h18-21H,2-17H2,1H3
Chemical Name
(4-nitrophenyl) octadecanoate
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

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)
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.4657 mL 12.3283 mL 24.6567 mL
5 mM 0.4931 mL 2.4657 mL 4.9313 mL
10 mM 0.2466 mL 1.2328 mL 2.4657 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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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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