| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
|
||
| 10g |
|
||
| Other Sizes |
| Targets |
N-Xantphos does not have a defined pharmacological target. It is a chelating aryldiphosphine ligand used in advanced catalytic processes. Its mechanism of action is chemical: the ligand coordinates to metal centers (e.g., palladium, nickel) to form catalysts that facilitate cross-coupling reactions. The phenoxazine backbone's N-H can be deprotonated, enabling the formation of anionic metal complexes.
|
|---|---|
| ln Vitro |
In vitro, N-Xantphos is used as a deprotonatable chelating aryldiphosphine ligand in advanced catalytic processes. It is used in the preparation of Pd-NiXantphos catalyst systems for room temperature cross-coupling reactions of unactivated aryl chlorides. As a versatile ligand, its applications span various catalytic processes. The compound is also used as a sulfonylation reagent.
|
| ln Vivo |
In vivo activity data for N-Xantphos are not available, as the compound is a ligand and catalyst component used for in vitro chemical synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
|
| Enzyme Assay |
For in vitro catalytic reactions, N-Xantphos is used as a ligand in metal-catalyzed cross-coupling reactions. Standard protocols involve combining the ligand with a metal precursor (e.g., Pd₂(dba)₃, Ni(COD)₂) in an appropriate solvent to form the active catalyst. The catalyst is then used in cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig, or other C-C and C-N bond forming reactions. The ligand's ability to deprotonate at the N-H group enables the formation of anionic metal complexes.
|
| Cell Assay |
For in vitro cell-based experiments, N-Xantphos 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, but it is not added directly to cell cultures as a test compound.
|
| Animal Protocol |
In vivo animal studies for N-Xantphos 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, and it is not intended for diagnostic or therapeutic use in animals or humans.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for N-Xantphos are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 551.55 g/mol and a boiling point of 662.1±55.0 °C at 760 mmHg. As a large, lipophilic phosphine ligand, it would be expected to have poor oral bioavailability. The compound is primarily used as a reagent rather than as a drug candidate.
|
| Toxicity/Toxicokinetics |
N-Xantphos 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. 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.
|
| Additional Infomation |
N-Xantphos (4,6-Bis(diphenylphosphino)phenoxazine) (CAS 261733-18-0) is primarily a research-grade chemical ligand, not an FDA-approved pharmaceutical drug. Its primary applications are as a deprotonatable chelating aryldiphosphine ligand for catalytic processes, in the preparation of Pd-NiXantphos catalyst systems for cross-coupling reactions, and as a sulfonylation reagent for organic synthesis and drug discovery. No clinical trials or approved therapeutic indications exist for this compound.
|
| Molecular Formula |
C36H27NOP2
|
|---|---|
| Molecular Weight |
551.55
|
| Exact Mass |
551.156
|
| CAS # |
261733-18-0
|
| PubChem CID |
3255346
|
| Appearance |
White to off-white solid powder
|
| Boiling Point |
662.1±55.0 °C at 760 mmHg
|
| Melting Point |
256-262ºC
|
| Flash Point |
354.3±31.5 °C
|
| Vapour Pressure |
0.0±2.0 mmHg at 25°C
|
| LogP |
10.79
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
40
|
| Complexity |
671
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)N4
|
| InChi Key |
HSWZLYXRAOXOLL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
|
| Chemical Name |
(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
|
| 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: (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)
|
| 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 | 1.8131 mL | 9.0654 mL | 18.1307 mL | |
| 5 mM | 0.3626 mL | 1.8131 mL | 3.6261 mL | |
| 10 mM | 0.1813 mL | 0.9065 mL | 1.8131 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
