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| Targets |
TBCA targets casein kinase II (CK2) with an IC50 of 110 nM and a Ki of 77 nM. It exhibits selectivity for CK2 over CK1, DYRK1A (IC50 = 24.5 μM), and 27 other kinases. It acts as an ATP-competitive inhibitor, binding to the ATP-binding site of the kinase.
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| ln Vitro |
The viability of Jurkat cells is significantly impacted by TBCA (0-100 μM; 24 hours) [1]. With an IC50 of 0.68 μM, TBCA also suppresses the CK2 double mutant (Val66 Ile174) [1]. Platelet aggregation and secretion caused by different agonists, such as 2-MeSADP, AYPGKF, SFLLRN, and CRP, are inhibited by TBCA in a dose-dependent manner. Additionally, AYPGKF-induced phosphorylation of GSK3β, Akt, and PDK1 is inhibited by TBCA [2].
In vitro, TBCA is a potent CK2 inhibitor with an IC50 of 110 nM and a Ki of 77 nM. It shows 2-fold selectivity over CK1 and is less active on DYRK1A (IC50 = 24.5 μM) than other CK2 inhibitors. It exhibits selectivity for CK2 over a panel of 27 other kinases. |
| ln Vivo |
In vivo, TBCA is a cell-permeable compound used as a research tool to study CK2-mediated signaling pathways. By inhibiting CK2, the compound modulates various cellular processes including cell cycle regulation, apoptosis, and signal transduction. Detailed in vivo data are available in research publications.
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| Enzyme Assay |
In vitro enzyme assays for TBCA measure its inhibition of CK2 activity. The kinase is incubated with its substrate and ATP in the presence of varying concentrations of the compound. Kinase activity is measured by quantifying substrate phosphorylation using radioactive or fluorescence-based methods. An IC50 of 110 nM and a Ki of 77 nM are determined.
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| Cell Assay |
Cell viability assay [1]
Cell Types: Jurkat cells Tested Concentrations: 0-100 μM Incubation Duration: 24 hrs (hours) Experimental Results: Jurkat cell viability diminished. In vitro cell-based assays for TBCA assess its effects on CK2-mediated cellular processes. Cells are treated with serial dilutions of the compound, and CK2 activity is measured by assessing the phosphorylation of CK2 substrates. Cell viability, proliferation, and apoptosis are evaluated to determine the functional consequences of CK2 inhibition. |
| Animal Protocol |
In vivo animal models for TBCA include models where CK2 plays a role, such as cancer models. The compound is administered via appropriate routes, and its effects on tumor growth, cell cycle progression, and disease progression are evaluated. Pharmacodynamic studies measure CK2 inhibition in target tissues.
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| ADME/Pharmacokinetics |
TBCA has a molecular formula of C₉H₄Br₄O₂ and a molecular weight of 463.74 g/mol. It is also known as Casein Kinase II Inhibitor III and Tetrabromocinnamic acid. The compound has a purity of >95%. It is soluble in DMSO and is stored under appropriate conditions for research use.
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| Toxicity/Toxicokinetics |
The toxicity profile of TBCA is characterized in preclinical safety studies. As a CK2 inhibitor, the compound may affect cell cycle regulation and apoptosis. The compound is for research use only and is not approved for clinical use. Appropriate safety precautions should be taken during handling.
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| References |
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| Additional Infomation |
The structure in the first source
See also: 2,3,4,5-Tetrabromophenyl-1-(acrylic acid) (note moved to). TBCA (Casein Kinase II Inhibitor III) is a potent, cell-permeable, ATP-competitive inhibitor of casein kinase II (CK2) with an IC50 of 110 nM and a Ki of 77 nM. It exhibits selectivity for CK2 over CK1, DYRK1A, and 27 other kinases. TBCA is also known as Tetrabromocinnamic acid. |
| Molecular Formula |
C9H4O2BR4
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|---|---|
| Molecular Weight |
463.74286
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| Exact Mass |
459.694
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| CAS # |
934358-00-6
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| PubChem CID |
16760346
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| Appearance |
Off-white to light yellow solid powder
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| Density |
2.4±0.1 g/cm3
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| Boiling Point |
490.8±45.0 °C at 760 mmHg
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| Flash Point |
250.6±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.714
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| LogP |
5.28
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
269
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C(=C(C(=C1Br)Br)Br)Br)/C=C/C(=O)O
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| InChi Key |
SVJQCVOKYJWUBC-OWOJBTEDSA-N
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| InChi Code |
InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+
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| Chemical Name |
(E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid
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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 (e.g. under nitrogen), 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) |
DMSO : ~100 mg/mL (~215.64 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.39 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (5.39 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 25.0 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 | 2.1564 mL | 10.7819 mL | 21.5638 mL | |
| 5 mM | 0.4313 mL | 2.1564 mL | 4.3128 mL | |
| 10 mM | 0.2156 mL | 1.0782 mL | 2.1564 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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