| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
PKR-IN-C51 targets protein kinase R (PKR), also known as EIF2AK2. PKR is a serine/threonine-protein kinase that is activated by double-stranded RNA (dsRNA) and plays a key role in the innate immune response to viral infections. It phosphorylates the eukaryotic translation initiation factor eIF2α, leading to inhibition of protein synthesis and viral replication. PKR-IN-C51 is an ATP-competitive inhibitor that blocks PKR activation and autophosphorylation.
|
|---|---|
| ln Vitro |
PKR-IN-C51 demonstrates potent inhibition of PKR kinase activity with an IC50 of 9 μM and a Ki of 3.4 μM. In primary mouse macrophages, it inhibits intracellular PKR activation in a dose-dependent manner. The compound shows no obvious cytotoxicity. Its ATP-competitive mechanism of action has been characterized in enzymatic assays. The compound's selectivity for PKR over other kinases has been evaluated.
|
| ln Vivo |
PKR-IN-C51 has been investigated for its therapeutic potential in treating viral infections, autoimmune diseases, and certain cancers by modulating PKR-mediated signaling pathways. As a PKR inhibitor, it may reduce excessive inflammatory responses and viral replication. In vivo efficacy in animal models of these diseases would be expected. However, detailed in vivo data are limited in publicly available sources. The compound is primarily used as a research tool for studying PKR function.
|
| Enzyme Assay |
PKR kinase activity assays are performed using recombinant human PKR enzyme and a peptide substrate (e.g., eIF2α-derived peptide) or myelin basic protein. The enzyme is incubated with the substrate and [γ-32P]ATP or fluorescently labeled ATP in kinase buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT). The reaction is incubated at 30°C for 30-60 minutes. Phosphorylated substrate is quantified by scintillation counting or fluorescence polarization. Test compounds are serially diluted and added to the reaction mixture. IC50 and Ki values are determined by non-linear regression analysis. Each concentration is tested in duplicate.
|
| Cell Assay |
Cellular PKR inhibition is evaluated in primary mouse macrophages or other cell lines. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with PKR-IN-C51 at various concentrations (0.1-100 μM). PKR activation is induced by dsRNA (poly I:C) or interferon treatment. PKR autophosphorylation and eIF2α phosphorylation are measured by Western blotting using phospho-specific antibodies. Cell viability is assessed using MTT or LDH assays. Cytokine production (e.g., IFN-β, TNF-α) is measured by ELISA. Each experiment includes appropriate positive controls (known PKR inhibitors) and vehicle controls.
|
| Animal Protocol |
In vivo efficacy is evaluated in animal models of viral infection, autoimmune disease, or cancer. PKR-IN-C51 is administered orally or intraperitoneally at doses determined by preclinical studies. Disease progression is monitored by clinical scores, viral load, or tumor growth. Tissue samples are collected for histopathological analysis and biochemical assays (PKR activity, eIF2α phosphorylation, cytokine levels). Sample sizes typically range from 8-12 animals per group. Detailed protocols are not publicly available.
|
| ADME/Pharmacokinetics |
PKR-IN-C51 has a molecular weight of 367.45 g/mol and a molecular formula of C23H21N5. Purity: typically ≥99%. Solubility: DMSO. Storage: typically at -20°C. Bioavailability, half-life, and tissue distribution data are not publicly available. The compound is a research tool for studying PKR function and its role in inflammation, viral infection, and cancer.
|
| Toxicity/Toxicokinetics |
Limited toxicology data are available for PKR-IN-C51. The compound shows no obvious cytotoxicity in cell-based assays. As a PKR inhibitor, potential toxicities would need to be characterized. Standard toxicology studies would include acute and subchronic toxicity in rodents, genotoxicity screening, and evaluation of effects on the immune system. No clinical trials have been reported for this compound. The compound is intended for research use only.
|
| References | |
| Additional Infomation |
PKR-IN-C51 is also known as compound 51. Its chemical name is N-(2-(1H-Indol-3-yl)ethyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine. It is an ATP-competitive PKR inhibitor with an IC50 of 9 μM and a Ki of 3.4 μM. It inhibits intracellular PKR activation in mouse macrophages and shows no obvious cytotoxicity. It is under investigation for viral infections, autoimmune diseases, and cancer. No clinical trials or regulatory approvals have been reported.
|
| Molecular Formula |
C23H21N5
|
|---|---|
| Molecular Weight |
367.446344137192
|
| Exact Mass |
367.179
|
| CAS # |
1314594-23-4
|
| PubChem CID |
53307873
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
4.8
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
28
|
| Complexity |
513
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1C(NCCC2C3C(=CC=CC=3)NC=2)=NC(C2=C(C)NC3C2=CC=CC=3)=CC=1
|
| InChi Key |
IDAWNFCAFDXMER-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H21N5/c1-15-22(18-7-3-5-9-20(18)27-15)21-11-13-25-23(28-21)24-12-10-16-14-26-19-8-4-2-6-17(16)19/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,24,25,28)
|
| Chemical Name |
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
|
| Synonyms |
PKRINC51; PKR IN C51; PKR-IN-C51
|
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~125 mg/mL (~340.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.66 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 (5.66 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 | 2.7215 mL | 13.6073 mL | 27.2146 mL | |
| 5 mM | 0.5443 mL | 2.7215 mL | 5.4429 mL | |
| 10 mM | 0.2721 mL | 1.3607 mL | 2.7215 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
