| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
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| Other Sizes |
| Targets |
Tetrabutylammonium phosphate is primarily used as an anti-HIV-active nucleoside triphosphate prodrug. As a phosphate salt, it can serve as a source of phosphate groups for phosphorylation reactions. The tetrabutylammonium cation provides lipophilic character that can enhance cell permeability of phosphate-containing compounds. The compound's mechanism of action involves its use as a reagent for the preparation of nucleoside triphosphate prodrugs with anti-HIV activity.
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|---|---|
| ln Vitro |
In vitro, Tetrabutylammonium phosphate is primarily used as a chemical reagent and synthetic intermediate. It is used as an anti-HIV-active nucleoside triphosphate prodrug. The compound is employed in the synthesis of various pharmaceutical compounds that are subsequently tested in in vitro assays. It is soluble in organic solvents and is commonly used as a phase-transfer catalyst or as a phosphate source in phosphorylation reactions.
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| ln Vivo |
In vivo activity data for Tetrabutylammonium phosphate itself are limited. The compound is primarily used as a reagent for the preparation of nucleoside triphosphate prodrugs that are subsequently evaluated for anti-HIV activity in vivo. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from it.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, Tetrabutylammonium phosphate is not typically evaluated as a test compound itself. Instead, it serves as a reagent for the synthesis of test compounds. The compound's properties include a molecular weight of 339.46 g/mol and a melting point of 151-154°C. The tetrabutylammonium cation provides lipophilic character that can be useful in phase-transfer catalysis.
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| Cell Assay |
For in vitro cell-based experiments, Tetrabutylammonium phosphate is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using Tetrabutylammonium phosphate are conducted on the final drug compounds synthesized from it, not on the reagent itself. For nucleoside triphosphate prodrugs derived from this reagent, efficacy studies would typically be performed in animal models of HIV infection. Standard in vivo protocols involve administration to rodents via appropriate routes with pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Tetrabutylammonium phosphate as a standalone compound are not characterized in the literature. The compound has a molecular weight of 339.46 g/mol. As a quaternary ammonium salt, it is expected to have limited oral bioavailability due to its charged nature. The compound is primarily used as a reagent rather than as a drug candidate. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
Tetrabutylammonium phosphate is a research chemical and should be handled with appropriate laboratory safety precautions. As a phosphate salt, it may pose risks of skin and eye irritation. The compound has a flash point of 43°F, indicating flammability. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
Tetrabutylammonium phosphate (CAS 5574-97-0) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary application is as an anti-HIV-active nucleoside triphosphate prodrug. The compound is used as a phosphate source in phosphorylation reactions and as a phase-transfer catalyst in organic synthesis. It is available from chemical suppliers for laboratory research use only. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C16H38NO4P
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|---|---|
| Molecular Weight |
339.45
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| Exact Mass |
339.253
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| CAS # |
5574-97-0
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| Related CAS # |
10549-76-5 (Parent)
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| PubChem CID |
2735142
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| Appearance |
White to off-white solid powder
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| Density |
1.04 g/mL at 20 °C
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| Boiling Point |
81-82 °C
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| Melting Point |
151-154 °C(lit.)
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| Flash Point |
43 °F
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| Index of Refraction |
n20/D 1.369
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| LogP |
4.513
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
22
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| Complexity |
166
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(=O)([O-])(O[H])O[H].[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 |
ARRNBPCNZJXHRJ-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
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| Chemical Name |
dihydrogen phosphate;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) |
DMSO: 100 mg/mL (294.59 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9459 mL | 14.7297 mL | 29.4594 mL | |
| 5 mM | 0.5892 mL | 2.9459 mL | 5.8919 mL | |
| 10 mM | 0.2946 mL | 1.4730 mL | 2.9459 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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