| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg |
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| Targets |
CDK1 5.8 μM (IC50)
CDK1-IN-2 targets cyclin-dependent kinase 1 (CDK1), a key regulator of cell cycle progression. CDK1, in complex with cyclin B, controls the G2/M transition and mitotic entry. The compound inhibits CDK1 with an IC50 of 5.8 μM. A broad-spectrum kinase profiling revealed nonselective inhibition of several kinases, indicating that CDK1-IN-2 is not highly selective for CDK1. |
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| ln Vitro |
In G2/M phase, CDK1-IN-2 ("CDK1 inhibitor 1"), 0-19.8 μM, 24 h, stops HCT-116 cells[1].
In vitro studies demonstrate that CDK1-IN-2 (0-19.8 μM, 24 h) arrests HCT-116 cells in G2/M phase. The compound inhibits CDK1 with an IC50 of 5.8 μM. It is an indolylmethylene-2-indolinone anti-proliferative agent. A broad-spectrum kinase profiling revealed nonselective inhibition of several kinases. The compound's anti-proliferative activity is mediated through cell cycle arrest at the G2/M checkpoint. |
| ln Vivo |
No detailed in vivo activity data has been published for CDK1-IN-2. The compound has been primarily characterized in vitro as a research tool for studying CDK1 function and cell cycle regulation. Its ability to arrest cells in G2/M phase suggests that it could have potential for in vivo applications in cancer research. Further studies would be needed to evaluate its efficacy in animal models.
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| Enzyme Assay |
The CDK1 inhibitory activity of CDK1-IN-2 can be assessed using in vitro kinase assays. In a typical assay, recombinant CDK1/cyclin B kinase is incubated with a peptide substrate, ATP (including radiolabeled ³³P-ATP), and varying concentrations of CDK1-IN-2. The incorporation of phosphate into the substrate is measured, and the IC50 is calculated. The IC50 for CDK1 inhibition is 5.8 μM. Broad-spectrum kinase profiling can be performed to assess selectivity.
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| Cell Assay |
The cellular activity of CDK1-IN-2 is assessed using HCT-116 colon cancer cells. Cells are treated with escalating concentrations of CDK1-IN-2 (0-19.8 μM, 24 h). Cell cycle analysis is performed using propidium iodide staining followed by flow cytometry to determine the proportion of cells in G2/M phase. Cell viability is measured using MTT assays. Apoptosis is assessed by annexin V/propidium iodide staining.
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| Animal Protocol |
No detailed in vivo animal model data has been published for CDK1-IN-2. The compound has been primarily characterized in vitro as a research tool for studying CDK1 function. Future studies may involve the use of mouse xenograft models to assess the in vivo efficacy of CDK1-IN-2. The compound's nonselective kinase inhibition profile may affect its in vivo activity and safety.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for CDK1-IN-2. The compound has a molecular weight of 294.7 g/mol and a molecular formula of C17H11ClN2O. It has a density of 1.5±0.1 g/cm³ and a boiling point of 585.1±50.0 °C. The compound is soluble in DMSO. Further studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for CDK1-IN-2. As a CDK1 inhibitor with nonselective kinase inhibition, it may have off-target effects on normal cell cycle regulation. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only.
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| References | |
| Additional Infomation |
3-[(2-chloro-1H-indol-3-yl)methylene]-1H-indol-2-one is a member of the indole class of compounds.
CDK1-IN-2 (CAS# 220749-41-7) is a CDK1 inhibitor with an IC50 of 5.8 μM. It arrests HCT-116 cells in G2/M phase at concentrations of 0-19.8 μM. The compound is an indolylmethylene-2-indolinone anti-proliferative agent. Broad-spectrum kinase profiling revealed nonselective inhibition of several kinases. The molecular formula is C17H11ClN2O and molecular weight is 294.7 g/mol. The compound is used in cell cycle research. |
| Molecular Formula |
C17H11CLN2O
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|---|---|
| Molecular Weight |
294.74
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| Exact Mass |
294.056
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| CAS # |
220749-41-7
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| PubChem CID |
5472558
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| Appearance |
White to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
585.1±50.0 °C at 760 mmHg
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| Flash Point |
307.7±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.778
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| LogP |
4.02
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
21
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| Complexity |
464
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)/C(=C\C3=C(NC4=CC=CC=C43)Cl)/C(=O)N2
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| InChi Key |
QJKBRWSJWQVKLY-UKTHLTGXSA-N
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| InChi Code |
InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+
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| Chemical Name |
(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ≥ 250 mg/mL (848.21 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 | 3.3928 mL | 16.9641 mL | 33.9282 mL | |
| 5 mM | 0.6786 mL | 3.3928 mL | 6.7856 mL | |
| 10 mM | 0.3393 mL | 1.6964 mL | 3.3928 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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