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| Targets |
tBID specifically targets homeodomain-interacting protein kinase 2 (HIPK2), a nuclear serine/threonine kinase that phosphorylates transcription factors and other regulatory proteins. HIPK2 is involved in multiple cellular functions including p53 regulation, Wnt signaling, and DNA damage repair pathways. By selectively inhibiting HIPK2 with an IC50 of 0.33 microM, tBID enables researchers to dissect the specific contributions of this kinase in various biological contexts.
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| ln Vitro |
The Ser/Thr kinase known as homeodomain-interacting protein kinase 2 (HIPK2) regulates the growth and viability of cells. TBID demonstrated unparalleled efficacy (IC50=0.33 µM) and specificity (Gini coefficient 0.592 among 76 kinases) in combating HIPK2. Though not as effectively as HIPK2, TBID also inhibits HIPK1 and HIPK3, two additional members of the HIPK family. According to the model, TBID acts in a competitive manner with ATP. While the symmetric nitrogen atom at position 3 interacts with the catalytic Lys 228 and plays a crucial role in binding architecture, TBID interacts with the hinge region through hydrophobic interactions between Val 213, Val 261, Phe 277, Leu 280, Met 331, Ile 345, and the tetrabromo moiety [1].
tBID demonstrates selective inhibition of HIPK2 with an IC50 value of 0.33 microM, indicating potent enzymatic activity against its target kinase. The compound exhibits high purity (≥98-99%) and is available in research-grade formulations. As a kinase inhibitor, tBID shows specificity for HIPK2 over other kinases, though comprehensive selectivity profiling data is limited. The compound's in vitro activity has been established through enzyme inhibition assays. |
| ln Vivo |
In vivo data for tBID is currently limited, as the compound is primarily characterized as a research-grade biochemical tool for HIPK2 inhibition studies. Most available information pertains to its in vitro enzyme inhibition properties. Further in vivo studies including pharmacokinetic and pharmacodynamic evaluations would be required to assess its therapeutic potential and systemic activity in animal models.
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| Enzyme Assay |
In vitro enzyme inhibition assays for tBID typically employ kinase activity measurement using recombinant HIPK2 enzyme and appropriate peptide substrates. Reactions are performed in kinase buffer containing ATP, and phosphorylation is quantified via radioactive or fluorescence-based detection methods. The IC50 value of 0.33 microM is determined by measuring remaining kinase activity across a range of inhibitor concentrations. Assays include appropriate controls and are performed in triplicate to ensure reproducibility.
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| Cell Assay |
Cellular assays for tBID involve culturing relevant cell lines expressing HIPK2, treating cells with varying concentrations of the compound (typically 0.1-10 microM range), and assessing downstream signaling effects. Readouts include phosphorylation status of HIPK2 substrates via Western blotting, cell viability assays, and assessment of HIPK2-dependent transcriptional activity. Cells are treated for 24-72 hours depending on the experimental endpoint, with DMSO vehicle controls and appropriate positive/negative controls included.
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| Animal Protocol |
In vivo animal studies for tBID have not been extensively reported in the available literature. As a research compound primarily used for in vitro kinase inhibition studies, systemic administration studies would typically involve oral gavage or intraperitoneal injection in rodent models. Standard protocols would include dose-response evaluations, tissue distribution analysis, and assessment of target engagement through pharmacodynamic markers. Such studies would be necessary to establish in vivo efficacy and safety profiles.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for tBID is not well-documented in the available literature. As a small molecule HIPK2 inhibitor, typical PK parameters would include oral bioavailability, half-life, clearance rate, and volume of distribution. Such information would normally be determined through standard PK studies involving intravenous and oral administration in rodent models, with plasma concentration monitoring via LC-MS/MS. The compound's molecular weight of 528.78 suggests moderate lipophilicity.
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| Toxicity/Toxicokinetics |
Available toxicological information indicates that tBID is classified as a hazardous/toxic substance. Standard safety precautions should be observed when handling this compound, including appropriate personal protective equipment and work in a fume hood. Comprehensive toxicology data including acute toxicity, genotoxicity, and chronic toxicity studies are not publicly available. As with all research chemicals, proper risk assessment and safety protocols should be followed during handling and disposal.
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| References | |
| Additional Infomation |
tBID (CAS# 1639895-85-4) is a research-grade chemical primarily used for studying HIPK2 biology. The compound is not approved for clinical use and is not listed as an investigational drug in clinical trials. Its mechanism of action involves selective inhibition of HIPK2 kinase activity, which modulates downstream signaling pathways including p53 phosphorylation and transcriptional regulation. This tool compound facilitates the study of HIPK2's role in cancer, neurodegenerative diseases, and other pathological conditions where HIPK2 dysregulation has been implicated. The compound is typically stored at 2-8degC.
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| Molecular Formula |
C11H3BR4N3O2
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|---|---|
| Molecular Weight |
528.78
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| Exact Mass |
528.691
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| CAS # |
1639895-85-4
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| PubChem CID |
126843228
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
20
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| Complexity |
419
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1=C(C(=C(C2C(N(C3=NC([H])=C([H])N3[H])C(C=21)=O)=O)Br)Br)Br
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| InChi Key |
ZQXVUBDNHQEMGO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H3Br4N3O2/c12-5-3-4(6(13)8(15)7(5)14)10(20)18(9(3)19)11-16-1-2-17-11/h1-2H,(H,16,17)
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| Chemical Name |
4,5,6,7-tetrabromo-2-(1H-imidazol-2-yl)isoindole-1,3-dione
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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 : ~20 mg/mL (~37.82 mM)
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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 | 1.8911 mL | 9.4557 mL | 18.9115 mL | |
| 5 mM | 0.3782 mL | 1.8911 mL | 3.7823 mL | |
| 10 mM | 0.1891 mL | 0.9456 mL | 1.8911 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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