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| Targets |
CK2 0.66 nM (IC50)
CK2 inhibitor 2 targets casein kinase 2 (CK2), a serine/threonine protein kinase involved in various cellular processes including cell proliferation, apoptosis, and signal transduction. The compound inhibits CK2 with an IC50 of 0.66 nM. It shows high selectivity for CK2 over Clk2 (IC50 = 32.69 nM). By blocking CK2's catalytic activity, the compound induces apoptosis and reduces tumor growth. CK2 is considered a therapeutic target in oncology, especially in hematologic and solid malignancies. |
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| ln Vitro |
CK2 inhibitor 2 (compound 1c) has strong antiproliferative properties against PC-3, HCT-116, MCF-7, HT-29, T24, and LO2 cells. Its IC50 values are 4.53 μM, 3.07 μM, 7.50 μM, 5.18 μM, 6.10 μM, and 96.68 μM, in that order[1]. HCT-116 cells experience dose-dependent apoptosis when exposed to CK2 inhibitor 2 (5–20 μM; 24 h). In HCT-116 cells, CK2 inhibitor 2 dose-dependently decreases the expression of p-Akt1S129 and p-Cdc37S13[1]. The exogenous ALDH1A1 enzyme activity is dose-dependently inhibited by CK2 inhibitor 2 (1-500 nM), with an IC50 of 0.10 μM[1]. In HCT-116 cells, CK2 inhibitor 2 (5-20 μM; 24 h) suppresses ALDH1A1 transcription and protein expression[1].
In vitro studies demonstrate that CK2 inhibitor 2 has strong antiproliferative properties against PC-3, HCT-116, MCF-7, HT-29, T24, and LO2 cells. The compound inhibits CK2 with an IC50 of 0.66 nM and shows high selectivity for CK2 over Clk2 (IC50 = 32.69 nM). By blocking CK2's catalytic activity, the compound induces apoptosis in cancer cells. The compound's anti-proliferative activity has been demonstrated across multiple cancer cell lines. |
| ln Vivo |
It is clear that CK2 inhibitor 2 (60–90 mg/kg; po twice day for 4 weeks) inhibits tumor growth in a dose-dependent manner, reaching a maximum inhibitory rate of 69% at 90 mg/kg[1]. The Cmax (7017.8 ng/mL), elimination half-life (t1/2=6.67 h), and CL (0.60 L/h/kg) of CK2 inhibitor 2 (25 mg/kg; single po) in SD rats[1].
In vivo, CK2 inhibitor 2 (60-90 mg/kg; po twice daily for 4 weeks) inhibits tumor growth in a dose-dependent manner, reaching a maximum inhibitory rate of 69% at 90 mg/kg. The compound shows a Cmax of 7017.8 ng/mL. CK2 inhibitor 2 blocks CK2's catalytic activity, leading to apoptosis and reduced tumor growth in vivo. The compound's oral bioavailability makes it suitable for oral administration in animal models. |
| Enzyme Assay |
The kinase inhibitory activity of CK2 inhibitor 2 can be assessed using in vitro kinase assays. In a typical assay, recombinant CK2 kinase is incubated with a peptide substrate, ATP (including radiolabeled ³³P-ATP), and varying concentrations of the compound. The incorporation of phosphate into the substrate is measured, and the IC50 is calculated from dose-response curves. The IC50 for CK2 inhibition is 0.66 nM. The selectivity against Clk2 can be assessed using similar assays with recombinant Clk2.
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| Cell Assay |
Apoptosis Analysis[1]
Cell Types: HCT-116 cells Tested Concentrations: 5, 10, 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: The apoptotic ratio reached about 55% at the concentration of 20 μM. Western Blot Analysis[1] Cell Types: HCT-116 cells Tested Concentrations: 5, 10, 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited the expression of p-Akt1S129 and p-Cdc37S13 in a dose-dependent manner. The cellular activity of CK2 inhibitor 2 is assessed using various cancer cell lines including PC-3, HCT-116, MCF-7, HT-29, T24, and LO2 cells. Cells are treated with escalating concentrations of the compound. Cell viability is measured using MTT or CellTiter-Glo assays. Apoptosis is assessed by measuring caspase activation, annexin V/propidium iodide staining, or detecting cleaved PARP. CK2-mediated signaling pathways are assessed by Western blotting using phospho-specific antibodies. |
| Animal Protocol |
Animal/Disease Models: Male BALB/c athymic nude mice (5 weeks old; 16-18 g) were injected HCT-116 cells[1]
Doses: 60, 90 mg/kg Route of Administration: Po twice a day for 4 weeks Experimental Results: Inhibited the tumor growth in a dose-dependent manner. No conspicuous change in body weight. Animal/Disease Models: SD (Sprague-Dawley) rats[1] Doses: 25 mg/ kg (pharmacokinetic/PK Analysis) Route of Administration: A single po Experimental Results: Cmax=7017.8 ng/mL, t1/2=6.67 h, CL=0.60 L/h/kg. CK2 inhibitor 2 has been evaluated in xenograft tumor models. In these studies, the compound is administered orally at doses of 60-90 mg/kg twice daily for 4 weeks. Tumor volumes are measured twice weekly. The compound inhibits tumor growth in a dose-dependent manner, reaching a maximum inhibitory rate of 69% at 90 mg/kg. The compound's oral bioavailability makes it suitable for oral administration. |
| ADME/Pharmacokinetics |
CK2 inhibitor 2 shows a Cmax of 7017.8 ng/mL. The compound is orally active, indicating favorable oral bioavailability. It has a molecular weight of approximately 450 g/mol. The compound is soluble in DMSO. Further studies would be needed to fully characterize its absorption, distribution, metabolism, and excretion properties, including half-life, AUC, and tissue distribution.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for CK2 inhibitor 2. As a CK2 inhibitor, it may have on-target effects on normal cellular processes regulated by CK2. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only. CK2 is considered a therapeutic target in oncology, and the compound's selectivity may contribute to a favorable safety profile.
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| References | |
| Additional Infomation |
CK2 inhibitor 2 (CAS# 2641079-92-5) is a potent, selective, and orally active CK2 inhibitor with an IC50 of 0.66 nM. It shows high selectivity for CK2 over Clk2 (IC50 = 32.69 nM). The compound has strong antiproliferative properties against PC-3, HCT-116, MCF-7, HT-29, T24, and LO2 cells. In vivo, it inhibits tumor growth in a dose-dependent manner with a maximum inhibitory rate of 69% at 90 mg/kg. The Cmax is 7017.8 ng/mL. The compound is used in cancer biology research.
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| Molecular Formula |
C21H17CLN4O2
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|---|---|
| Molecular Weight |
392.84
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| Exact Mass |
392.104
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| CAS # |
2641079-92-5
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| PubChem CID |
156621381
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| Appearance |
White to yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
537
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(NC2=CC=CC(Cl)=C2)C2=C(C=NC=C2)C2=CC=C(C(NCCO)=O)C=C2N=1
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| InChi Key |
FPWXVWZFQXQWTH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26)
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| Chemical Name |
5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide
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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) |
DMSO : 50 mg/mL (127.28 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (5.29 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
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 | 2.5456 mL | 12.7278 mL | 25.4557 mL | |
| 5 mM | 0.5091 mL | 2.5456 mL | 5.0911 mL | |
| 10 mM | 0.2546 mL | 1.2728 mL | 2.5456 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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