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10-Methyl-9-(phenoxycarbonyl)acridinium

Cat No.:V44394 Purity: ≥98%
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate is a phenyl ester of acridinium ester and is a fluorescent dye reagent that produces chemiluminescence under neutral conditions.
10-Methyl-9-(phenoxycarbonyl)acridinium
10-Methyl-9-(phenoxycarbonyl)acridinium Chemical Structure CAS No.: 149300-54-9
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
100mg
250mg
Other Sizes
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Product Description
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate is a phenyl ester of acridinium ester and is a fluorescent dye reagent that produces chemiluminescence under neutral conditions. 10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate can be used for the determination of hydrogen peroxide.
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate (PMAC) is a phenyl ester derivative of acridinium ester that functions as a fluorescent dye reagent. It produces chemiluminescence under neutral conditions. The compound has a molecular formula of C21H16FNO5S and a molecular weight of 413.42. It is utilized in the quantification of hydrogen peroxide and as a sensitive tool for detection of reactive oxygen species (ROS).
Biological Activity I Assay Protocols (From Reference)
Targets
10-Methyl-9-(phenoxycarbonyl)acridinium does not have a specific biological target. It is a chemiluminescent probe that reacts with hydrogen peroxide and reactive oxygen species to produce light. The compound's mechanism of action is based on its chemical reactivity rather than engagement with a pharmacological target. Upon reaction with hydrogen peroxide under neutral conditions, the acridinium ester undergoes chemiluminescence, producing a detectable signal.
ln Vitro
In vitro, 10-Methyl-9-(phenoxycarbonyl)acridinium is used as a chemiluminescent reagent for the quantification of hydrogen peroxide. It has been used in chemiluminescence reactions to detect and quantify ROS. The compound produces chemiluminescence under neutral conditions, making it suitable for biological assays. Specific activity data, such as EC50 values, are not applicable as it is a detection reagent rather than a pharmacologically active compound.
ln Vivo
In vivo applications of 10-Methyl-9-(phenoxycarbonyl)acridinium are not typical, as it is primarily used in vitro as a chemiluminescent probe. It is not administered to living animals for therapeutic or diagnostic purposes. Its use is confined to laboratory research settings for detecting hydrogen peroxide and ROS in biological samples.
Enzyme Assay
A cell-free assay for 10-Methyl-9-(phenoxycarbonyl)acridinium involves measuring its chemiluminescence upon reaction with hydrogen peroxide. In these assays, the compound is incubated with hydrogen peroxide under neutral conditions, and the resulting chemiluminescence is measured using a luminometer. The intensity of the signal is proportional to the concentration of hydrogen peroxide, allowing for quantification.
Cell Assay
Cellular experiments with 10-Methyl-9-(phenoxycarbonyl)acridinium typically involve using it as a probe to detect ROS production in cells. Cells are incubated with the compound, and upon production of ROS or hydrogen peroxide, chemiluminescence is generated and measured. However, specific protocols are not detailed in the available sources. The compound is not stable in solution and should be used freshly prepared.
Animal Protocol
In vivo animal experiments for 10-Methyl-9-(phenoxycarbonyl)acridinium are not applicable, as it is a chemiluminescent probe used in vitro.
ADME/Pharmacokinetics
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate has a molecular formula of C21H16FNO5S and a molecular weight of 413.42. It is soluble in DMSO at approximately 35.71 mg/mL. The compound should be stored in a sealed and protected environment, avoiding exposure to moisture and light. It is not stable in solution and should be used freshly prepared. For powder storage, it can be kept at -20°C for 3 years or at 4°C for 2 years.
Toxicity/Toxicokinetics
Toxicity data for 10-Methyl-9-(phenoxycarbonyl)acridinium are not provided in the available sources. As a chemiluminescent probe, it is generally considered to have low toxicity for its intended research applications. However, specific toxicological information is not available. The compound is intended for research use only and not for human consumption.
References

[1]. Development of a highly sensitive chemiluminescent assay for hydrogen peroxide under neutral conditions using acridinium ester and its application to an enzyme immunoassay. Luminescence. 2014 Jun;29(4):374-7.

Additional Infomation
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate (CAS: 149300-54-9) is a phenyl ester of acridinium ester that produces chemiluminescence under neutral conditions. It is also known as PMAC. The compound is used for the quantification of hydrogen peroxide and as a sensitive tool for detection of reactive oxygen species. Its molecular formula is C21H16FNO5S and its molecular weight is 413.42. It is not a therapeutic drug and is strictly for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H16NO2+.O3FS-
Molecular Weight
413.41884
Exact Mass
413.073
CAS #
149300-54-9
PubChem CID
16218376
Appearance
Light yellow to yellow solid powder
LogP
4.533
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Heavy Atom Count
29
Complexity
500
Defined Atom Stereocenter Count
0
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: (1). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.  (2). This product is not stable in solution, please use freshly prepared working solution for optimal results.
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 : ~35.71 mg/mL (~86.38 mM)
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 2.4188 mL 12.0942 mL 24.1885 mL
5 mM 0.4838 mL 2.4188 mL 4.8377 mL
10 mM 0.2419 mL 1.2094 mL 2.4188 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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