| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
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| Other Sizes |
| Targets |
No specific biological target has been identified for tricyclohexylphosphonium tetrafluoroborate, as it functions primarily as a catalyst precursor and chemical reagent rather than a direct pharmacological agent. However, the compound's tricyclohexylphosphine moiety can coordinate to transition metals, forming complexes that may interact with biological molecules. The compound is used with Ru(cod)Cl dimer to catalyze the dehydrogenative coupling of alcohols and amines to form amide bonds. This catalytic activity may have applications in the synthesis of peptide bonds and other amide-containing compounds relevant to drug discovery. The compound itself is not intended for therapeutic use but serves as a tool for chemical synthesis. Its use as a ligand precursor enables the development of catalysts for various transformations of biological relevance.
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|---|---|
| ln Vitro |
In vitro, tricyclohexylphosphonium tetrafluoroborate is used with Ru(cod)Cl dimer to catalyze the dehydrogenative coupling of alcohols and amines to form amide bonds. This reaction is important for the synthesis of amides, which are key functional groups in peptides, pharmaceuticals, and natural products. The compound serves as a ligand precursor for the formation of ruthenium complexes that catalyze this transformation. It is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research. In organic synthesis, it is used as a source of tricyclohexylphosphine for the preparation of various transition metal catalysts. Its tetrafluoroborate anion provides a non-coordinating counterion that does not interfere with catalytic reactions.
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| ln Vivo |
In vivo studies are not performed with tricyclohexylphosphonium tetrafluoroborate, as it is a chemical reagent rather than a pharmacological agent. The compound is not intended for administration to living organisms. Its use as a catalyst precursor means that it is handled as a chemical reagent in laboratory settings, and comprehensive in vivo studies on the parent compound are not documented. The compound is not intended for therapeutic use and is handled as a chemical reagent in laboratory settings.
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| Enzyme Assay |
Cell-free assays for tricyclohexylphosphonium tetrafluoroborate are focused on its use as a catalyst precursor. Standard protocols for the dehydrogenative coupling of alcohols and amines involve mixing the compound with Ru(cod)Cl dimer in an appropriate solvent, adding the alcohol and amine substrates, and heating under inert atmosphere. The reaction progress is monitored by TLC, GC, or HPLC, and the products are purified by column chromatography. The compound's ability to serve as a ligand precursor can be assessed by the catalytic activity of the resulting ruthenium complexes. Its use in other catalytic reactions involves standard protocols for phosphine ligand preparation and transition metal catalysis.
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| Cell Assay |
Cellular assays are not performed with tricyclohexylphosphonium tetrafluoroborate due to its role as a catalyst precursor. The compound is not used as a test article in cell-based experiments because of its potential toxicity and its role as a chemical reagent rather than a bioactive compound. The compound is used in the synthesis of drug candidates that are subsequently tested in cellular assays, but the parent compound itself is not used in cellular experiments.
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| Animal Protocol |
Animal studies are not conducted with tricyclohexylphosphonium tetrafluoroborate. The compound is a chemical reagent and is not intended for administration to animals. Toxicity and pharmacological profiles for the parent compound are inferred from related phosphonium salts and phosphines. Appropriate safety precautions should be taken when handling the compound, including the use of personal protective equipment such as gloves and safety goggles.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for tricyclohexylphosphonium tetrafluoroborate are not available, as the compound is primarily a chemical reagent rather than a drug candidate. With a molecular weight of 368.24 g/mol, the compound is relatively large and would be expected to have limited membrane permeability if administered. However, comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
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| Additional Infomation |
Tricyclohexylphosphonium tetrafluoroborate is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is used with Ru(cod)Cl dimer to catalyze the dehydrogenative coupling of alcohols and amines to form amide bonds. It is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research. The compound has a molecular formula of C18H34BF4P and a molecular weight of 368.24 g/mol. It appears as a white to almost white powder or crystal and should be stored at room temperature in a cool and dark place, preferably below 15 °C.
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| Molecular Formula |
C18H34BF4P
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|---|---|
| Molecular Weight |
368.24
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| Exact Mass |
367.235
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| CAS # |
58656-04-5
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| PubChem CID |
11710396
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| Appearance |
White to off-white solid powder
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| Melting Point |
164ºC
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| LogP |
7.766
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
221
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| Defined Atom Stereocenter Count |
0
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| SMILES |
F[B-](F)(F)F.C1CCC(CC1)[PH+](C1CCCCC1)C1CCCCC1
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| InChi Key |
MYSMMEUXKHJYKH-UHFFFAOYSA-O
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| InChi Code |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1
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| Chemical Name |
tricyclohexylphosphanium;tetrafluoroborate
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
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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 | 2.7156 mL | 13.5781 mL | 27.1562 mL | |
| 5 mM | 0.5431 mL | 2.7156 mL | 5.4312 mL | |
| 10 mM | 0.2716 mL | 1.3578 mL | 2.7156 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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