![Chloro[4-(di-tert-butylphosphino)-N,N-dimethylaniline-2-(2'-aminobiphenyl)]palladium(II)](/upload/0290/114eaffc-886a-4f0f-9dfd-351ed6040923.png)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
|
||
| Other Sizes |
| Targets |
This compound is a chemical catalyst rather than a therapeutic agent. It targets the transition state of palladium-catalyzed cross-coupling reactions including Suzuki-Miyaura, Buchwald-Hartwig amination, and C-O coupling reactions. The bulky electron-rich phosphine ligand facilitates oxidative addition and reductive elimination steps.
|
|---|---|
| ln Vitro |
In vitro catalytic activity has been demonstrated for various cross-coupling reactions with features including high reactivity, broad substrate scope, and air stability. The precatalyst enables efficient formation of carbon-carbon and carbon-heteroatom bonds under mild conditions with low catalyst loadings.
|
| ln Vivo |
In vivo activity is not applicable as this compound is a chemical catalyst used in organic synthesis, not a therapeutic agent. It is not administered to animals or humans for therapeutic purposes. Its use is limited to laboratory-scale and industrial-scale chemical synthesis of pharmaceutical intermediates.
|
| Enzyme Assay |
For catalytic reactions, the compound is typically dissolved in an appropriate solvent (e.g., THF, dioxane, or toluene) under inert atmosphere. The substrate is added along with the catalyst (typically 0.5-5 mol%) and a base. The reaction mixture is stirred at room temperature or elevated temperature. Reaction progress is monitored by TLC, HPLC, or GC.
|
| Cell Assay |
This catalyst is not used in cell-based assays. Its application is in chemical synthesis rather than biological testing. Pharmaceutical intermediates synthesized using this catalyst are subsequently evaluated in cell-based assays for biological activity. Cells are cultured in DMEM or RPMI-1640 with 10% FBS at 37°C in 5% CO₂.
|
| Animal Protocol |
This catalyst is not used for in vivo animal studies. It is a chemical reagent for synthesis. Pharmaceutical compounds synthesized using this catalyst may be formulated and administered to rodents for efficacy evaluation in disease models.
|
| ADME/Pharmacokinetics |
The compound has a molecular weight of 574.5 g/mol and a molecular formula of C₂₈H₃₇ClN₂PPd⁺. It appears as an off-white to light yellow powder. Purity specification is typically ≥98%. It is soluble in common organic solvents. The compound is air-stable and can be handled under ambient conditions.
|
| Toxicity/Toxicokinetics |
Acute toxicity data for this palladium complex are limited. Heavy metal compounds may be toxic and should be handled with extreme care. Standard laboratory safety practices should be followed. The compound may cause skin, eye, and respiratory irritation. Proper personal protective equipment should be used.
|
| Additional Infomation |
This compound is also known as APhos Pd G2 and is classified as an amphos palladacycle. It is a second-generation Buchwald precatalyst. It is used in the synthesis of fine chemicals and pharmaceutical intermediates. It is a research reagent and is not an FDA-approved drug.
|
| Molecular Formula |
C28H37CLN2PPD+
|
|---|---|
| Molecular Weight |
574.5
|
| CAS # |
2169976-34-3
|
| Appearance |
Off-white to light yellow powder
|
| Melting Point |
195-199 °C
|
| LogP |
0
|
| SMILES |
CC(C)(C)P(C1=CC(=C(C=C1)N(C)C)Cl)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]
|
| InChi Key |
ILKIAFSZZJBUPI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H27ClNP.C12H10N.Pd/c1-15(2,3)19(16(4,5)6)12-9-10-14(18(7)8)13(17)11-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h9-11H,1-8H3;1-6,8-9H,13H2;/q;-1;+2
|
| Chemical Name |
2-chloro-4-ditert-butylphosphanyl-N,N-dimethylaniline;palladium(2+);2-phenylaniline
|
| 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 |
| 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 | 1.7406 mL | 8.7032 mL | 17.4064 mL | |
| 5 mM | 0.3481 mL | 1.7406 mL | 3.4813 mL | |
| 10 mM | 0.1741 mL | 0.8703 mL | 1.7406 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
