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| 5mg |
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| Targets |
CDK8-IN-3 targets cyclin-dependent kinase 8 (CDK8), a component of the Mediator complex that regulates transcription. By inhibiting CDK8 kinase activity, the compound disrupts Mediator complex-mediated transcriptional regulation. This affects the expression of genes involved in cell proliferation and tumorigenesis. CDK8-IN-3 is a selective CDK8 inhibitor.
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| ln Vitro |
In vitro, CDK8-IN-3 is a selective inhibitor of CDK8. It blocks CDK8 kinase activity, inhibiting Mediator complex-mediated transcriptional regulation. This leads to effects on cell proliferation and tumor-associated gene expression. The compound's selectivity for CDK8 over other kinases would need to be confirmed in profiling studies.
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| ln Vivo |
Specific in vivo activity data for CDK8-IN-3 is not extensively detailed in the available literature. As a CDK8 inhibitor, it has potential applications in cancer research, given CDK8's role in tumorigenesis. Further studies are needed to fully characterize its in vivo efficacy and pharmacokinetic properties.
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| Enzyme Assay |
CDK8-IN-3's activity as a CDK8 inhibitor is assessed using in vitro kinase assays. These assays measure the compound's ability to inhibit the phosphorylation activity of CDK8. IC50 values are determined from dose-response curves. Selectivity profiling against a panel of other kinases is performed to evaluate its specificity.
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| Cell Assay |
Cellular assays for CDK8-IN-3 involve treating cancer cell lines with the compound and measuring its effects on cell proliferation, viability, and gene expression. The compound's ability to inhibit CDK8-mediated transcriptional regulation can be assessed by measuring the expression of target genes.
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| Animal Protocol |
In vivo animal model protocols for CDK8-IN-3 would involve its administration to tumor-bearing mice to evaluate its antitumor efficacy. The compound's effects on tumor growth and transcriptional regulation would be assessed. Pharmacokinetic studies would evaluate its absorption, distribution, metabolism, and excretion.
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| ADME/Pharmacokinetics |
CDK8-IN-3 has a molecular weight of 389.45 and a molecular formula of C22H23N5O2. Its IUPAC name is N-(2-methoxyethyl)-3-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-1H-indazole-5-carboxamide. Specific pharmacokinetic data is not extensively detailed in the available literature.
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| Toxicity/Toxicokinetics |
The toxicological profile of CDK8-IN-3 has not been extensively characterized. As a research compound, it is intended for research use only and not for human consumption. Standard safety assessments would be required for clinical development.
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| References | |
| Additional Infomation |
CDK8-IN-3 (CAS# 1884500-15-5) is a research compound used to study the role of CDK8 in transcriptional regulation and cancer. It is a selective CDK8 inhibitor that blocks Mediator complex-mediated transcription. It is not approved for clinical use and is supplied as a research chemical.
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| Molecular Formula |
C22H23N5O2
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|---|---|
| Molecular Weight |
389.450324296951
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| Exact Mass |
389.185
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| CAS # |
1884500-15-5
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| PubChem CID |
118959920
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| Appearance |
White to off-white solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
539
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C=C(C=N1)C2=CC=C(C=C2)CC3=C4C=C(C=CC4=NN3)C(=O)NCCOC
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| InChi Key |
MYODQBLYOKTZML-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23N5O2/c1-27-14-18(13-24-27)16-5-3-15(4-6-16)11-21-19-12-17(7-8-20(19)25-26-21)22(28)23-9-10-29-2/h3-8,12-14H,9-11H2,1-2H3,(H,23,28)(H,25,26)
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| Chemical Name |
N-(2-methoxyethyl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
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| Synonyms |
CDK8-IN-3; CDK8-IN 3; CDK8 IN-3
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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 and light. |
| 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 (~128.39 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 | 2.5677 mL | 12.8386 mL | 25.6772 mL | |
| 5 mM | 0.5135 mL | 2.5677 mL | 5.1354 mL | |
| 10 mM | 0.2568 mL | 1.2839 mL | 2.5677 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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