| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
DYRK1 DYRK2
HIPK2 (homeodomain-interacting protein kinase 2) and HIPK1. This compound is a potent HIPK2 inhibitor with an IC50 of 74 nM for HIPK2 and 136 nM for HIPK1, and exhibits high binding affinity for HIPK2 with a Kd of 9.5 nM. |
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| ln Vitro |
Protein kinase inhibitor 1 hydrochloride has IC50s of 136 and 74 nM for HIPK1 and HIPK2, and a Kd of 9.5 nM for HIPK2, making it a strong HIPK2 inhibitor. With an IC50 greater than 10 μM, protein kinase inhibitor 1 (compound A64) is ineffective as a Cdk1 inhibitor. With Kds of 3.7 nM (PIM3), 6.1 nM (CSNK2A2), 6.1 nM (CSNK2A2), 8.8 nM (DYRK1A), 9.5 nM (DAPK1), 31 nM (CSNK2A1), 37 nM (PIM1), 130 nM (DRAK2), 150 nM (CLK2), 190 nM (DRAK1), 220 nM (ULK2), 240 nM (CLK1), 250 nM (DYRK2), and 390 nM (ERK8), as well as IC50s of 19 nM (DYRK1A), 62 nM (DYRK1B), and 74 nM (HIPK2)[1].
Protein kinase inhibitor 1 hydrochloride demonstrates potent inhibition of HIPK2 with an IC50 of 74 nM and HIPK1 with an IC50 of 136 nM. It shows high binding affinity for HIPK2 with a dissociation constant (Kd) of 9.5 nM. The compound exhibits selectivity over a panel of other kinases, making it a valuable probe for investigating HIPK2-dependent signaling pathways, particularly in cancer research and cellular response to stress. |
| ln Vivo |
No specific in vivo efficacy data are reported. As a potent HIPK2 inhibitor with defined selectivity, the compound may be used in animal models to study the role of HIPK2 in tumor growth, metastasis, stress response, and fibrosis. However, such studies have not been published. The compound is primarily an in vitro research tool.
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| Enzyme Assay |
Cell-free HIPK2 kinase activity assays are performed using recombinant human HIPK2 enzyme. The enzyme is incubated with a peptide substrate and ATP in the presence of increasing concentrations of the compound (0.01-10,000 nM) in assay buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM DTT). The reaction proceeds for 30-60 min at 30degC. IC50 is determined by measuring phosphorylated substrate using a luminescence-based assay (ADP-Glo) or by 33P incorporation. Kd is measured by surface plasmon resonance (SPR) or equilibrium dialysis.
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| Cell Assay |
Cell-based assays are performed using cancer cell lines with known HIPK2 expression (e.g., HeLa, HCT116, U2OS). Cells are treated with the compound at concentrations of 0.1-10 uM for 24-48 hours. Cell viability is assessed by MTT assay. HIPK2-mediated phosphorylation of downstream targets (e.g., p53 at Ser46, HMGA1) is analyzed by Western blot. Apoptosis is measured by caspase-3/7 activity or Annexin V staining. Colony formation assays can be performed at lower concentrations over 7-14 days.
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| Animal Protocol |
No in vivo animal protocols are published. For potential in vivo studies, the compound would likely be administered to mice or rats by intraperitoneal injection (10-50 mg/kg) or oral gavage. Tumor xenograft models could be used to assess anti-tumor efficacy. Blood and tissue samples would be collected for PK/PD analysis. Western blotting of tumor tissue would be used to confirm target engagement (e.g., reduction of HIPK2-mediated p53 phosphorylation). No such studies are reported.
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| ADME/Pharmacokinetics |
No specific PK data are reported. The molecular weight is 419.89 (C18H18ClN5O3S). Storage: -20degC in powder form. Solubility: DMSO (>10 mg/mL). The compound is a hydrochloride salt and is soluble in aqueous buffers. PK parameters (oral bioavailability, half-life, clearance, volume of distribution) have not been characterized. The compound is intended for research use only.
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| Toxicity/Toxicokinetics |
No toxicity data are reported. As a small-molecule kinase inhibitor, standard safety assessments would include in vitro cytotoxicity assays, hERG channel inhibition testing, and CYP inhibition profiling. No clinical trials have been conducted. The compound is not FDA-approved. It is for research use only.
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| References | |
| Additional Infomation |
Other information: Protein kinase inhibitor 1 hydrochloride (CAS 2321337-71-5) is a research compound, not FDA-approved. It is a potent HIPK2 inhibitor with IC50s of 136 nM (HIPK1) and 74 nM (HIPK2), and a Kd of 9.5 nM for HIPK2. It is a valuable tool for studying HIPK2-dependent pathways in cancer and stress responses. Purity ≥98%. For research use only. Synonyms: HIPK2 inhibitor 1.
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| Molecular Formula |
C18H22CLN5O3S
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|---|---|
| Molecular Weight |
423.916981220245
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| Exact Mass |
419.081
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| CAS # |
2321337-71-5
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| Related CAS # |
Protein kinase inhibitor 1;1365986-44-2
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| PubChem CID |
134611631
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
28
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| Complexity |
754
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.S1C(NC(/C/1=C\C1CNC(C(C2=CN=C(C=C2)N2CCNCC2)C1)=O)=O)=O
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| InChi Key |
PSLSZGRUEDWPNC-XHIXCECLSA-N
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| InChi Code |
InChI=1S/C18H17N5O3S.ClH/c24-16-13(7-11(9-21-16)8-14-17(25)22-18(26)27-14)12-1-2-15(20-10-12)23-5-3-19-4-6-23;/h1-2,7-10,19H,3-6H2,(H,21,24)(H,22,25,26);1H/b14-8+;
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| Chemical Name |
(5E)-5-[[6-oxo-5-(6-piperazin-1-ylpyridin-3-yl)-1H-pyridin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
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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: Please store this product in a sealed and protected environment, 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) |
H2O: 9.09 mg/mL (21.65 mM)
DMSO: 8.33 mg/mL (19.84 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.83 mg/mL (1.98 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 0.83 mg/mL (1.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 8.3 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3589 mL | 11.7947 mL | 23.5894 mL | |
| 5 mM | 0.4718 mL | 2.3589 mL | 4.7179 mL | |
| 10 mM | 0.2359 mL | 1.1795 mL | 2.3589 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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