| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
John Phos does not have a defined pharmacological target. It is a phosphine ligand used in palladium-catalyzed cross-coupling reactions. Its mechanism of action is chemical: the ligand coordinates to palladium to form an active catalyst that facilitates C-C and C-N bond formation. It is known for its ability to enable challenging cross-couplings with a wide range of substrates, including sterically hindered and heteroaryl substrates.
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|---|---|
| ln Vitro |
In vitro, John Phos is used as a ligand in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig, and other C-C and C-N bond forming reactions. It is a key component of the JohnPhos Pd precatalyst, which is used for a variety of coupling reactions.
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| ln Vivo |
In vivo activity data for John Phos are not available, as the compound is a ligand used for catalysis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro catalytic reactions, John Phos is used as a ligand in palladium-catalyzed cross-coupling reactions. Standard protocols involve combining the ligand with a palladium precursor (e.g., Pd₂(dba)₃, Pd(OAc)₂) in an appropriate solvent to form the active catalyst. The catalyst is then used in reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings.
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| Cell Assay |
For in vitro cell-based experiments, John Phos is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and catalysis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays.
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| Animal Protocol |
In vivo animal studies for John Phos are not applicable, as the compound is a ligand used for catalysis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for John Phos are not available, as the compound is not a drug and is not administered to living organisms. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
John Phos is a research chemical and should be handled with appropriate laboratory safety precautions. As a phosphine ligand, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
John Phos (CAS 224311-51-7) is primarily a research-grade chemical ligand, not an FDA-approved pharmaceutical drug. Its primary applications are as a ligand in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings.
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| Molecular Formula |
C20H27P
|
|---|---|
| Molecular Weight |
298.40
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| Exact Mass |
298.185
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| CAS # |
224311-51-7
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| PubChem CID |
2734215
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| Appearance |
White to off-white solid powder
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| Density |
1 g/cm3
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| Boiling Point |
405.5±24.0 °C at 760 mmHg
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| Melting Point |
86-88 °C(lit.)
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| Flash Point |
210.1±29.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| LogP |
6.78
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
300
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C
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| InChi Key |
CNXMDTWQWLGCPE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
|
| Chemical Name |
ditert-butyl-(2-phenylphenyl)phosphane
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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: 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) |
DMSO: 10 mg/mL (33.51 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (3.35 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3512 mL | 16.7560 mL | 33.5121 mL | |
| 5 mM | 0.6702 mL | 3.3512 mL | 6.7024 mL | |
| 10 mM | 0.3351 mL | 1.6756 mL | 3.3512 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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