![[Bmpip][NTf2] (1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide)](/upload/1124/V65422.png)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
|
||
| Other Sizes |
| Targets |
[Bmpip][NTf2] is an ionic liquid used primarily as a solvent, electrolyte, and reaction medium rather than as a pharmacological agent. As a synthetic reagent, it does not have specific biological receptors as its primary targets. The compound's applications in biomedical research are related to its physicochemical properties as an ionic liquid, including its ability to dissolve a wide range of compounds, its thermal stability, and its electrochemical properties. The compound may interact with biological systems through its ionic nature, potentially affecting cell membranes and protein structures. Its primary value lies in its utility as a reagent and solvent in chemical and materials research.
|
|---|---|
| ln Vitro |
In vitro, [Bmpip][NTf2] is used as a biochemical reagent and ionic liquid in various research applications. It is employed as an electrolyte in battery research and as a model ionic liquid in separation studies. The compound's unique properties as an ionic liquid, including low volatility, high thermal stability, and tunable solubility, make it valuable for studying ionic effects on chemical reactions and separations. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in materials science and analytical chemistry. The compound's ionic nature may influence its interactions with biological molecules in research settings.
|
| ln Vivo |
In vivo data for [Bmpip][NTf2] is limited, as it is primarily a research reagent and ionic liquid rather than a therapeutic agent. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Its primary applications are in battery research, separation science, and materials chemistry. The compound's ionic nature and fluorinated anion suggest limited bioavailability and potential for accumulation if administered systemically. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic candidate.
|
| Enzyme Assay |
In vitro assays for [Bmpip][NTf2] typically involve its use as a solvent, electrolyte, or reaction medium rather than as a biological assay reagent. A typical application involves dissolving the compound in appropriate solvents and using it as an electrolyte in electrochemical cells or as a solvent for chemical reactions. The compound's ionic liquid properties allow for studies of ionic effects on reaction kinetics and thermodynamics. For biological studies, the compound may be used to extract or solubilize biomolecules. Standard characterization techniques include NMR, IR spectroscopy, and thermal analysis. The compound's purity and water content are critical parameters for its performance.
|
| Cell Assay |
Cellular assays for [Bmpip][NTf2] are not standard, as the compound is primarily used as a materials science reagent rather than a cell-modulating agent. The compound's ionic nature may affect cell viability and membrane integrity at high concentrations. Any cellular studies would focus on evaluating the compound's cytotoxicity or its effects on cell membranes. A typical protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays. The compound's ionic nature may necessitate specific handling procedures.
|
| Animal Protocol |
In vivo animal studies for [Bmpip][NTf2] are not standard, as it is a research reagent and ionic liquid rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to toxicological evaluations of the compound as an industrial chemical. The compound's fluorinated anion suggests potential for bioaccumulation and toxicity. Specific in vivo protocols are not available in the public literature. The compound's primary value lies in its use as a reagent and solvent in materials and chemical research.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for [Bmpip][NTf2] is limited, as it is primarily a research reagent. The compound has a molecular weight of 436.43 g/mol and a molecular formula of C₁₂H₂₂F₆N₂O₄S₂. It appears as a liquid and is stored under appropriate conditions. The compound has a purity of ≥97% and contains ≤0.2% water. As an ionic liquid with a fluorinated anion, it is expected to have low volatility and high lipophilicity. The compound is classified as hazardous (Acute Tox. 3, Eye Dam. 1, Skin Corr. 1B). Specific ADME data is not available.
|
| Toxicity/Toxicokinetics |
[Bmpip][NTf2] is classified as a dangerous substance with signal word "Danger". Hazard classifications include Acute Tox. 3 Dermal, Acute Tox. 3 Oral, Eye Dam. 1, and Skin Corr. 1B. The compound is classified as Storage Class 6.1A (combustible, acute toxic Cat. 1 and 2). It has a WGK of 3. Standard safety precautions include handling with appropriate personal protective equipment (dust mask type N95, eyeshields, gloves) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials.
|
| References | |
| Additional Infomation |
[Bmpip][NTf2] (1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide, CAS 623580-02-9) is an ionic liquid with the molecular formula C₁₂H₂₂F₆N₂O₄S₂. It is used as an electrolyte in battery research, as a model ionic liquid in separation studies, and in the study of solute activity coefficients. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent.
|
| Molecular Formula |
C12H22F6N2O4S2
|
|---|---|
| Molecular Weight |
436.43
|
| Exact Mass |
436.093
|
| CAS # |
623580-02-9
|
| PubChem CID |
12184311
|
| Appearance |
Colorless to light yellow liquid（Density：1.39 g/cm3）
|
| Index of Refraction |
1.43
|
| LogP |
5.596
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
26
|
| Complexity |
477
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCC[N+]1(C)CCCCC1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
|
| InChi Key |
ZDMWZUAOSLBMEY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H22N.C2F6NO4S2/c1-3-4-8-11(2)9-6-5-7-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
|
| Chemical Name |
bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpiperidin-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 (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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2913 mL | 11.4566 mL | 22.9132 mL | |
| 5 mM | 0.4583 mL | 2.2913 mL | 4.5826 mL | |
| 10 mM | 0.2291 mL | 1.1457 mL | 2.2913 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.
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
