| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| 50g |
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| Other Sizes |
| Targets |
TBAT does not have a defined biological drug target as it is a chemical reagent used in organic synthesis rather than a therapeutic agent. The compound serves as a source of fluoride ions in various chemical reactions, including nucleophilic fluorination, desilylation, and other transformations. The difluorotriphenylsilicate anion provides a stable, non-hygroscopic source of "naked" fluoride that is soluble in organic solvents. In biological research, the compound may be used for the synthesis of fluorinated drug candidates, as fluorine incorporation is a common strategy in medicinal chemistry to modulate drug properties.
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| ln Vitro |
A biochemical reagent called tetrabutylammonium difluorotriphenylsilicate (IV) can be utilized in life science research as an organic compound or biological material.
As a chemical reagent, TBAT is not evaluated for direct in vitro biological activity against specific molecular targets. The compound is used as a tool in organic synthesis for the preparation of fluorinated compounds, including potential drug candidates. The fluoride ion released from TBAT can participate in various chemical transformations, but the compound itself is not designed to interact with biological systems. Its applications are strictly chemical rather than biological in nature. |
| ln Vivo |
TBAT is not evaluated for in vivo activity as it is a chemical reagent rather than a therapeutic agent. The compound's utility lies in its role as a synthetic tool for the preparation of fluorinated drug candidates, which may subsequently be tested in animal models. The fluoride source itself is not intended for direct administration to living organisms. Its applications remain in chemical synthesis and materials science.
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| Enzyme Assay |
Cell-free biochemical assays involving TBAT typically focus on its use as a fluorinating reagent in organic synthesis rather than as an enzyme inhibitor. A standard protocol for nucleophilic fluorination involves dissolving TBAT in an appropriate organic solvent (e.g., THF, DCM, or acetonitrile) and adding it to a substrate containing a leaving group (e.g., mesylate, tosylate, or triflate). The reaction is typically carried out at room temperature or with mild heating for several hours. TBAT can also be used for desilylation reactions (removal of silyl protecting groups). Reactions are monitored by TLC or GC-MS and products are characterized by NMR and mass spectrometry.
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| Cell Assay |
Cell-based assays are not typically performed with TBAT as the compound is a chemical reagent rather than a drug candidate. The compound may be used in the synthesis of fluorinated compounds that are subsequently tested in cell-based assays. For example, fluorinated drug candidates synthesized using TBAT may be evaluated in cancer cell lines or other disease-relevant cell models. The reagent itself is not tested in cell-based assays.
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| Animal Protocol |
In vivo studies are not conducted with TBAT itself. The compound is used as a reagent for the synthesis of fluorinated drug candidates, which may then be evaluated in animal models. A typical protocol for in vivo efficacy studies involves administration of the fluorinated test compound to rodents, with monitoring of disease progression through appropriate endpoints. TBAT serves only as a synthetic tool in the preparation of such compounds.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, pharmacokinetic data for TBAT is not applicable. The compound's molecular weight is 539.87 g/mol and it is soluble in most organic solvents. The compound should be stored refrigerated (0-10°C). For fluorinated drug candidates synthesized using TBAT, PK parameters depend on the overall molecular structure and are determined empirically. Fluorine incorporation can significantly affect drug metabolism and pharmacokinetics.
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| Toxicity/Toxicokinetics |
Toxicological data specific to TBAT is limited. As with all chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound should be handled in a well-ventilated area with appropriate personal protective equipment. The compound's non-hygroscopic nature makes it easier to handle than other fluoride sources. For drug candidates synthesized using this reagent, comprehensive toxicological evaluation is required.
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| Additional Infomation |
TBAT (Tetrabutylammonium difluorotriphenylsilicate) is a research chemical and synthetic reagent rather than a pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a non-hygroscopic, organic-soluble nucleophilic fluoride source for organic synthesis. It is used in chromatography, catalysis, and electrochemistry applications. In medicinal chemistry, TBAT is valuable for the introduction of fluorine into drug candidates, as fluorination is a common strategy to improve metabolic stability, lipophilicity, and binding affinity.
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| Molecular Formula |
C34H51F2NSI
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|---|---|
| Molecular Weight |
539.86
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| Exact Mass |
539.376
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| CAS # |
163931-61-1
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| PubChem CID |
9893474
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| Appearance |
White to off-white solid powder
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| Melting Point |
157-163ºC(lit.)
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| LogP |
8.046
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
38
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| Complexity |
401
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Si-](C1C([H])=C([H])C([H])=C([H])C=1[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])(F)F.[N+](C([H])([H])C([H])([H])C([H])([H])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])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
RQBKGJOQACIQDG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H15F2Si.C16H36N/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-15H;5-16H2,1-4H3/q-1;+1
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| Chemical Name |
difluoro(triphenyl)silanuide;tetrabutylazanium
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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
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| 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 | 1.8523 mL | 9.2617 mL | 18.5233 mL | |
| 5 mM | 0.3705 mL | 1.8523 mL | 3.7047 mL | |
| 10 mM | 0.1852 mL | 0.9262 mL | 1.8523 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.
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