| Size | Price | Stock | Qty |
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| 5g |
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| 10g |
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| Other Sizes |
| Targets |
Bis(dibenzylideneacetone)palladium does not have a defined pharmacological target. It is a palladium catalyst used in organic synthesis for various transformations. Its mechanism of action is catalytic: the Pd(0) center participates in oxidative addition, transmetalation, and reductive elimination steps in catalytic cycles, enabling C-C bond formation, hydrogenation, carbonylation, and other reactions.
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| ln Vitro |
CC bond formation, carbonylation, hydrogenation, isomerization, and oxidation. A reagent called bis(dibenzylideneacetone)palladium(0) is used to make allyl-substituted cyclopentadienes. It functions as a homogeneous catalyst for different nucleophiles and allyl acetate alkylation. It's also applied in Suzuki reactions.
In vitro, bis(dibenzylideneacetone)palladium is used as a homogeneous catalyst in organic synthesis. It is used as a reagent for the preparation of allylic substituted cyclopentadienes and in the alkylation of allyl acetates by various nucleophiles. It catalyzes hydrogenation, isomerization, carbonylation, oxidation, and C-C bond formation reactions. |
| ln Vivo |
In vivo activity data for bis(dibenzylideneacetone)palladium are not available, as the compound is a catalyst used for in vitro organic 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.
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| Enzyme Assay |
For in vitro catalytic reactions, bis(dibenzylideneacetone)palladium is used as a catalyst in various organic transformations. Standard protocols involve adding the compound to reaction mixtures at catalytic amounts (typically 1-5 mol%) in an appropriate solvent under controlled temperature and atmosphere. The compound's catalytic activity is evaluated by monitoring reaction progress by TLC or HPLC and isolating the product. The compound's air-stable, soluble nature in organic solvents makes it valuable in homogeneous catalysis.
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| Cell Assay |
For in vitro cell-based experiments, bis(dibenzylideneacetone)palladium is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis. 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 due to potential toxicity from residual palladium.
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| Animal Protocol |
In vivo animal studies for bis(dibenzylideneacetone)palladium are not applicable, as the compound is a catalyst used for organic synthesis. 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.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Palladium can be absorbed via oral, skin contact, and inhalation routes. Once in the body, it is distributed to the kidneys, liver, spleen, lymph nodes, adrenal glands, lungs, and bones. Palladium has the ability to form complexes, allowing it to bind to amino acids, proteins, DNA, and other macromolecules. Palladium and its metabolites are excreted in urine and feces. (A21) Pharmacokinetic data for bis(dibenzylideneacetone)palladium are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 575.00 g/mol. As a metal-containing compound, it would be expected to have limited oral bioavailability and potential toxicity from palladium. The compound is primarily used as a catalyst rather than as a drug candidate. |
| Toxicity/Toxicokinetics |
Toxicity Summary
Palladium ions can form stable complexes with inorganic and organic ligands, thus disrupting cellular homeostasis, displacing other essential ions, and interacting with functional groups in macromolecules such as proteins or DNA. The binding of palladium complexes to DNA and RNA leads to strand breaks. Palladium ions can inhibit most major cellular functions, including DNA and RNA synthesis. Studies have shown that palladium compounds can bind to and inhibit the activity of a variety of enzymes, including creatine kinase and prolyl hydroxylase. (L798) Bis(dibenzylideneacetone)palladium is a research chemical and should be handled with appropriate laboratory safety precautions. As a palladium complex, 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 |
Bis(1,5-diphenyl-1,4-pentadien-3-one)palladium(O) is a compound of palladium. Palladium is a chemical element with the symbol Pd and atomic number 46. It exists as a single metal, forms alloys with gold and other platinum group metals, and is also found in rare copper ores and polar minerals. (L794)
Bis(dibenzylideneacetone)palladium (Pd(dba)₂) (CAS 32005-36-0) is primarily a research-grade catalyst, not an FDA-approved pharmaceutical drug. Its primary applications are as a homogeneous catalyst for hydrogenation, isomerization, carbonylation, oxidation, and C-C bond formation reactions, and as a reagent for the preparation of allylic substituted cyclopentadienes. No clinical trials or approved therapeutic indications exist for this compound. |
| Molecular Formula |
C36H42O2PD
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|---|---|
| Molecular Weight |
575.00
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| Exact Mass |
574.112
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| CAS # |
32005-36-0
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| PubChem CID |
154270
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| Appearance |
Brown to black solid powder
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| Boiling Point |
400.7ºC at 760 mmHg
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| Melting Point |
150°C
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| Flash Point |
176.1ºC
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| LogP |
7.964
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
37
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| Complexity |
272
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Pd].C2=C(C=CC(C=CC1=CC=CC=C1)=O)C=CC=C2.C3=CC=CC=C3C=CC(C=CC4=CC=CC=C4)=O
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| InChi Key |
UKSZBOKPHAQOMP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;
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| Chemical Name |
1,5-diphenylpenta-1,4-dien-3-one;palladium
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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) |
DMSO: 25 mg/mL (43.48 mM)
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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 | 1.7391 mL | 8.6957 mL | 17.3913 mL | |
| 5 mM | 0.3478 mL | 1.7391 mL | 3.4783 mL | |
| 10 mM | 0.1739 mL | 0.8696 mL | 1.7391 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.
Link: https://clinicaltrials.gov/ct2/show/NCT07001319
Conditions:HIV-1-infectionProducts are for research use only; We do not sell to patients
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