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PYR14-TFSI

Cat No.:V69088 Purity: ≥98%
PYR14-TFSI is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
PYR14-TFSI
PYR14-TFSI Chemical Structure CAS No.: 223437-11-4
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10g
25g
Other Sizes
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Product Description
PYR14-TFSI is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
PYR14-TFSI (CAS 223437-11-4), also known as 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide, is a hydrophobic, room-temperature ionic liquid (RTIL) belonging to the pyrrolidinium-based class of electrolytes. The molecular formula is C₁₁H₂₀F₆N₂O₄S₂ and the molecular weight is 422.41 g/mol. It has a purity of ≥98%. This compound is a high-purity, room-temperature ionic liquid widely procured as an advanced electrolyte solvent and safety additive. It is a biochemical reagent that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
Biological Activity I Assay Protocols (From Reference)
Targets
PYR14-TFSI does not have a defined biological drug target as it is an ionic liquid used primarily as an electrolyte solvent and chemical reagent rather than a therapeutic agent. The compound's applications are in electrochemistry, energy storage, and materials science rather than in biological systems. In biomedical research, ionic liquids are studied for their potential as drug delivery vehicles, antimicrobial agents, and solvents for biocatalysis. The compound's hydrophobic nature and ionic character make it useful for studying ion transport and electrochemical properties.
ln Vitro
As an ionic liquid and chemical reagent, PYR14-TFSI is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound's primary applications are in electrochemistry and materials science as an electrolyte solvent. In biological contexts, ionic liquids may show antimicrobial activity or effects on cell membranes due to their ionic nature, but such effects are incidental to their primary use. The compound's biological activity in assays would depend on the specific context and concentration.
ln Vivo
In vivo activity data for PYR14-TFSI is limited, as the compound is primarily used in electrochemistry and materials science rather than as a therapeutic agent. Ionic liquids are being studied for potential biomedical applications including drug delivery, but comprehensive in vivo studies have not been extensively reported. The compound's primary applications remain in energy storage devices (batteries, supercapacitors) and as electrolytes in electrochemical systems.
Enzyme Assay
Cell-free biochemical assays involving PYR14-TFSI typically focus on its use as an electrolyte or solvent rather than as an enzyme inhibitor. In electrochemical applications, a standard protocol involves dissolving the ionic liquid in an appropriate solvent (e.g., acetonitrile or other organic solvents) and using it as an electrolyte for cyclic voltammetry, impedance spectroscopy, or battery testing. The compound's purity (≥98%) is verified by HPLC or NMR. Its high ionic conductivity and wide electrochemical window make it suitable for advanced energy storage applications.
Cell Assay
Cell-based assays are not typically performed with PYR14-TFSI as the compound is an ionic liquid used in electrochemistry and materials science rather than a drug candidate. If studying the biocompatibility of ionic liquids, standard cell-based protocols may be used to assess cytotoxicity. Cells are cultured in appropriate media, treated with varying concentrations of the ionic liquid (0.01-10 mM) for 24-72 hours, and cell viability is assessed by MTT or other assays. The compound's hydrophobic nature may affect its interaction with cell membranes.
Animal Protocol
In vivo studies are not typically conducted with PYR14-TFSI as the compound is used in electrochemistry and materials science rather than as a therapeutic agent. If evaluating the safety or biocompatibility of ionic liquids for biomedical applications, standard toxicology studies in rodents may be performed. A typical protocol includes oral or intraperitoneal administration of the compound, with monitoring of clinical signs, body weight, and tissue histopathology. However, comprehensive in vivo studies are limited.
ADME/Pharmacokinetics
Pharmacokinetic data for PYR14-TFSI is not applicable, as the compound is an ionic liquid used in electrochemistry rather than a drug. The molecular weight is 422.41 g/mol. The compound is hydrophobic and would be expected to have low aqueous solubility. For potential biomedical applications, PK studies would be required. The compound is typically handled as a liquid at room temperature.
Toxicity/Toxicokinetics
Toxicological data specific to PYR14-TFSI is limited. As with all ionic liquids and chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound's hydrophobic nature may affect its interactions with biological systems. For potential biomedical applications, comprehensive toxicological evaluation would be required. The compound's safety profile in the context of electrochemical applications is established through standard industrial hygiene practices.
References

[1]. Phase Transitions of PYR14-TFSI as a Function of Pressure and Temperature: the Competition between Smaller Volume and Lower Energy Conformer. J Phys Chem B. 2016 Mar 24;120(11):2921-8.

Additional Infomation
Structure in the first source
PYR14-TFSI is a research chemical and ionic liquid rather than a pharmaceutical agent. No clinical trials or regulatory approvals exist for therapeutic use of this compound. It is commercially available from various chemical suppliers for research and industrial purposes only. The compound's primary value lies in its utility as a high-purity, room-temperature ionic liquid electrolyte solvent and safety additive for advanced electrochemical applications including batteries and supercapacitors. It is also used as a biochemical reagent for biomedical research. The compound's hydrophobic nature and high stability make it suitable for demanding electrochemical applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C11H20F6N2O4S2
Molecular Weight
422.40
Exact Mass
422.076
CAS #
223437-11-4
PubChem CID
11048104
Appearance
Light yellow to yellow liquid(Density:1.4 g/cm3)
Density
1.40
Boiling Point
190.5ºC at 760mmHg
Flash Point
69ºC
Vapour Pressure
0.54mmHg at 25°C
Index of Refraction
1.4216
LogP
5.206
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
5
Heavy Atom Count
25
Complexity
467
Defined Atom Stereocenter Count
0
SMILES
S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)(=O)=O.[N+]1(C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChi Key
HSLXOARVFIWOQF-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H20N.C2F6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
Chemical Name
bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
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, 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)
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 2.3674 mL 11.8371 mL 23.6742 mL
5 mM 0.4735 mL 2.3674 mL 4.7348 mL
10 mM 0.2367 mL 1.1837 mL 2.3674 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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