| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Cdk1/cyclin B 0.6 nM (IC50) cdk2/cyclin A 0.5 nM (IC50) CLK1 8.9 nM (IC50) CLK3 29.2 nM (IC50) VEGF-R2 32 nM (IC50) GSK-3 140 nM (IC50)
K00546 targets cyclin-dependent kinases 1 and 2 (CDK1 and CDK2). These kinases are key regulators of the cell cycle, with CDK2 controlling the G1/S transition and CDK1 regulating the G2/M transition. By potently inhibiting both CDK1 (IC50 = 0.6 nM) and CDK2 (IC50 = 0.5 nM), K00546 disrupts cell cycle progression, leading to antiproliferative effects in cancer cells. |
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| ln Vitro |
K00546 attaches itself to the SLK ATP binding site and joins forces with kinase hinge residues E109 and C111 to generate three hydrogen bonds. Additionally, K00546's sulfamoyl moiety interacts with L40's backbone [1]. With IC50 values of 5.2 μM, 2.8 μM, and PDGF-Rβ, respectively, K00546 (Compound 3n) also inhibits PKA, casein kinase-1, MAP kinase (ERK-2), calmodulin kinase, VEGF-R2, GSK-3, and PDGF-Rβ. 0.032 μM, 0.14 μM, 1.0 μM, 8.9 μM, and 1.6 μM[2].
In vitro, K00546 demonstrates potent inhibition of CDK1/cyclin B and CDK2/cyclin A with IC50 values of 0.6 nM and 0.5 nM, respectively. This high potency makes it a valuable tool for studying the roles of CDK1 and CDK2 in cell cycle regulation. Its activity is measured using recombinant kinase enzymes in biochemical assays, and its effects on cell cycle progression are confirmed in cell-based studies. |
| ln Vivo |
In vivo data for K00546 is not extensively reported in publicly available sources. As a potent CDK1 and CDK2 inhibitor, the compound has potential applications in animal models of cancer, where inhibiting cell cycle progression could suppress tumor growth. However, specific published in vivo efficacy studies are not detailed in the current literature. K00546 is primarily used as a research tool for studying cell cycle regulation and cancer biology.
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| Enzyme Assay |
The in vitro CDK inhibition assay for K00546 uses recombinant CDK1/cyclin B and CDK2/cyclin A enzymes and a peptide substrate. Kinase activity is measured using radioactive or luminescent detection methods, and IC50 values are calculated from dose-response curves. Selectivity profiling against other CDKs and kinases is performed to determine the compound's specificity. Cellular assays assess the effects on cell cycle progression and proliferation.
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| Cell Assay |
Cellular assays for K00546 are conducted in cancer cell lines. Cells are treated with varying concentrations of K00546, and cell cycle distribution is analyzed by flow cytometry. Cell viability and proliferation are measured using standard assays such as MTT or CellTiter-Glo. CDK inhibition is confirmed by measuring the phosphorylation status of known CDK substrates such as retinoblastoma protein (Rb).
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| Animal Protocol |
In vivo studies for K00546 would typically involve xenograft mouse models of cancer. The compound would be administered via oral or intraperitoneal routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition. However, specific published in vivo protocols for K00546 are not available in the current literature. The compound is currently used as a research tool for studying CDK biology.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for K00546 is not extensively reported in publicly available sources. The compound has a molecular weight of 425.44 g/mol and a molecular formula of C15H13F2N7O2S2. As a small molecule CDK inhibitor, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life and bioavailability are not available in the current literature for this research compound.
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| Toxicity/Toxicokinetics |
Toxicity data for K00546 is limited in publicly available sources. As with all research compounds, K00546 is intended for research use only and not for human therapeutic applications. The compound's potent inhibition of CDK1 and CDK2 suggests potential on-target toxicities that would need to be addressed. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment.
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| References |
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| Additional Infomation |
K00546 (CAS 443798-47-8) is a potent inhibitor of CDK1 and CDK2 with IC50 values of 0.6 nM and 0.5 nM, respectively. It has a molecular formula of C15H13F2N7O2S2 and a molecular weight of 425.44 g/mol. K00546 is a valuable research tool for studying cell cycle regulation, CDK biology, and for developing cancer therapeutics.
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| Molecular Formula |
C15H13F2N7O2S2
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|---|---|
| Molecular Weight |
425.44
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| Exact Mass |
425.054
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| CAS # |
443798-47-8
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| PubChem CID |
5330812
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
649.1±65.0 °C at 760 mmHg
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| Flash Point |
346.4±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.755
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| LogP |
1.27
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
647
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
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| InChi Key |
ARIOBGGRZJITQX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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| Chemical Name |
5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide
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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 : 100 mg/mL (235.05 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 | 2.3505 mL | 11.7525 mL | 23.5051 mL | |
| 5 mM | 0.4701 mL | 2.3505 mL | 4.7010 mL | |
| 10 mM | 0.2351 mL | 1.1753 mL | 2.3505 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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