| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
|
| Targets |
Purvalanol B is a selective inhibitor of cyclin-dependent kinases (CDKs), particularly targeting CDK1 and CDK2 with high potency. It binds to the ATP-binding pocket of these kinases, disrupting their activity and cell cycle progression. The compound showed IC₅₀ values of 0.3 μM for CDK2 and 0.1 μM for CDK1 in enzyme inhibition assays [1].
|
|---|---|
| ln Vitro |
- CDK Inhibition: Purvalanol B potently inhibited CDK2 and CDK1 activities in cell-free assays, with IC₅₀ values of 0.3 μM and 0.1 μM, respectively. This inhibition correlated with reduced phosphorylation of CDK substrates such as retinoblastoma protein (Rb) [1].
- Antiproliferative Activity: In cancer cell lines (e.g., HeLa, MCF-7), Purvalanol B suppressed cell growth with IC₅₀ values ranging from 0.5 to 1.2 μM, inducing G2/M cell cycle arrest and apoptosis [1]. - Plasmodium falciparum Inhibition: In intra-erythrocytic Plasmodium falciparum parasites, Purvalanol B demonstrated antimalarial activity with an IC₅₀ of 2.5 μM, disrupting parasite developmental progression and reducing protein expression of CDK-like kinases [2]. |
| Enzyme Assay |
- CDK2/CDK1 Kinase Assay: Recombinant CDK2/cyclin A or CDK1/cyclin B complexes were incubated with Purvalanol B (0.01–10 μM) and ATP. Phosphorylation of histone H1 or Rb protein was measured using radioactive ATP incorporation or Western blot analysis. Purvalanol B inhibited CDK2 and CDK1 with IC₅₀ values of 0.3 μM and 0.1 μM, respectively [1].
- Plasmodium CDK-like Kinase Assay: Parasite lysates were treated with Purvalanol B (0.1–10 μM), and kinase activity was assessed via phosphorylation of a synthetic peptide substrate. The compound inhibited parasite CDK-like kinases with an IC₅₀ of 3.1 μM [2]. |
| Cell Assay |
- Cell Cycle Analysis: Cancer cells treated with Purvalanol B (0.5–2 μM) for 24–48 hours were stained with propidium iodide and analyzed by flow cytometry. A significant accumulation of cells in G2/M phase was observed, accompanied by reduced cyclin B1 and increased p21 expression [1].
- Parasite Growth Inhibition Assay: P. falciparum-infected erythrocytes were incubated with Purvalanol B (0.1–10 μM) for 48 hours. Parasite viability was determined by SYBR Green I staining, revealing an IC₅₀ of 2.5 μM. Western blot analysis showed decreased expression of parasite proteins involved in DNA replication and cell cycle regulation [2]. |
| Toxicity/Toxicokinetics |
- Cytotoxicity: In normal human fibroblasts, Purvalanol B exhibited lower cytotoxicity (IC₅₀ > 5 μM) compared to cancer cells, indicating some selectivity [1].
- Parasite-Specific Toxicity: No significant toxicity was observed in uninfected erythrocytes treated with Purvalanol B at concentrations up to 10 μM, suggesting specificity toward P. falciparum [2]. |
| References |
|
| Additional Infomation |
- Mechanism of Action: Purvalanol B exerts its effects by binding to the ATP-binding site of CDKs, preventing substrate phosphorylation and cell cycle progression. In P. falciparum, this inhibition disrupts parasite replication and survival [1,2].
- Selectivity: The compound shows higher affinity for CDK1/CDK2 compared to other kinases (e.g., MAPK, AKT), making it a promising tool for studying CDK-dependent pathways [1]. - Antimalarial Potential: The activity of Purvalanol B against P. falciparum highlights its potential as a lead compound for developing CDK-targeted antimalarial therapies [2]. |
| Molecular Formula |
C20H25CLN6O3
|
|---|---|
| Molecular Weight |
432.903902769089
|
| Exact Mass |
432.167
|
| Elemental Analysis |
C, 55.49; H, 5.82; Cl, 8.19; N, 19.41; O, 11.09
|
| CAS # |
2310135-61-4
|
| Related CAS # |
Purvalanol B;212844-54-7
|
| Appearance |
White to off-white solid powder
|
| SMILES |
ClC1=C(C(=O)O)C=CC(=C1)NC1=C2C(=NC(=N1)N[C@H](CO)C(C)C)N(C=N2)C(C)C
|
| 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) |
DMSO: 76.7 mg/mL (177.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.80 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 20.8 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 | 2.3100 mL | 11.5500 mL | 23.1000 mL | |
| 5 mM | 0.4620 mL | 2.3100 mL | 4.6200 mL | |
| 10 mM | 0.2310 mL | 1.1550 mL | 2.3100 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
