| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
ZINC-194100678 targets PAK1 (p21-activated kinase 1), a serine/threonine kinase that plays a critical role in cell proliferation, migration, and survival. PAK1 is often overexpressed or hyperactivated in cancer cells. By inhibiting PAK1, ZINC194100678 disrupts downstream signaling pathways and inhibits cancer cell proliferation.
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| ln Vitro |
ZINC194100678 (0-50 μM; 48 hours) exhibits a strong antiproliferative effect, with an IC50 of 40.16 μM [1].
In vitro, ZINC194100678 is a potent PAK1 inhibitor with an IC₅₀ of 8.37 μM. It exhibits potent antiproliferative activity with an IC₅₀ value of 40.16 μM against MDA-MB-231 breast cancer cells. ZINC194100678 (0-50 μM; 48 hours) exhibits potent antiproliferative activity against MDA-MB-231 cells. |
| ln Vivo |
In vivo, ZINC194100678 can be used for anticancer research. As a PAK1 inhibitor, it may have potential therapeutic effects in cancer treatment. Detailed in vivo data regarding dosage, administration routes, and specific efficacy endpoints are limited in the available literature.
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| Enzyme Assay |
ZINC194100678's PAK1 inhibition activity has been characterized using biochemical kinase assays. The compound inhibits PAK1 with an IC₅₀ of 8.37 μM. Binding and activity assays are typically performed using purified PAK1 enzyme and appropriate substrates.
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| Cell Assay |
Cell proliferation assay
Cell Types: MDA-MB-231[1] Tested Concentrations: 0-50 μM Incubation Duration: 48 hrs (hours) Experimental Results: demonstrated effective anti-proliferative activity with an IC50 value of 40.16 μM. In vitro cell experiments with ZINC194100678 use MDA-MB-231 breast cancer cells to assess antiproliferative activity. Cells are treated with the compound at concentrations ranging from 0 to 50 μM for 48 hours. Cell viability is assessed using standard assays such as MTT. |
| Animal Protocol |
In vivo animal studies with ZINC194100678 have been conducted using cancer models. The compound is typically administered via oral gavage or injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to ZINC194100678 are limited in the available literature. As a small molecule with a molecular weight of 219.24 g/mol, the compound is expected to have reasonable bioavailability. Further pharmacokinetic studies are needed.
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| Toxicity/Toxicokinetics |
ZINC194100678 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
ZINC194100678 has a molecular formula of C₁₀H₁₃N₅O and a molecular weight of 219.24 g/mol. Purity is typically ≥98%. It is a potent PAK1 inhibitor with an IC₅₀ of 8.37 μM. It inhibits the proliferation of MDA-MB-231 cells and can be used for anticancer research.
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| Molecular Formula |
C10H13N5O
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|---|---|
| Molecular Weight |
219.243120908737
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| Exact Mass |
219.112
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| CAS # |
1995025-05-2
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| PubChem CID |
150720856
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
0.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
16
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| Complexity |
233
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1COCCC1NC2=NC=NC3=C2C=NN3
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| InChi Key |
JPVDXNVUNZMZNY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H13N5O/c1-3-16-4-2-7(1)14-9-8-5-13-15-10(8)12-6-11-9/h5-7H,1-4H2,(H2,11,12,13,14,15)
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| Chemical Name |
N-(oxan-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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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 |
| 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) |
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
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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 | 4.5612 mL | 22.8061 mL | 45.6121 mL | |
| 5 mM | 0.9122 mL | 4.5612 mL | 9.1224 mL | |
| 10 mM | 0.4561 mL | 2.2806 mL | 4.5612 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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