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| Targets |
NU6300 targets cyclin-dependent kinase 2 (CDK2), a key regulator of the eukaryotic cell cycle and transcription. It binds covalently and irreversibly to CDK2-Lys89. The compound is an ATP-competitive inhibitor. NU6300 also targets GSDMD (Gasdermin D) via covalent binding to C191 and Keap1 via C489, indicating multi-target activity.
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| ln Vitro |
CDK2 is covalently modified and irreversibly inhibited by NU6300 (50 μM; 0–1 hour)[1].
In vitro, NU6300 acts as a covalent, irreversible CDK2 inhibitor with an IC₅₀ of 0.16 µM and a Kᵢ of 6 nM. It inhibits Rb phosphorylation. The compound's effect is time-dependent and relatively slow, with less than 50% reduction of the apparent binding capacity in 20 hours. NU6300 retains >75% Rb phosphorylation inhibition 1 hour post-washout. |
| ln Vivo |
NU6300 is used for research of eukaryotic cell cycle- and transcription-related processes. Its in vivo activity is studied in preclinical models to investigate the effects of CDK2 inhibition on cell proliferation, stress responses, and metabolic regulation. The compound's covalent binding mechanism provides sustained target inhibition.
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| Enzyme Assay |
The in vitro enzyme assay for NU6300 involves measuring its inhibitory activity against CDK2 in cell-free systems. These assays use purified CDK2 enzyme and measure the phosphorylation of a substrate (e.g., Rb) in the presence of the compound. Inhibitory potency is determined by assessing IC₅₀ (0.16 µM) and Kᵢ (6 nM) values.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: SKUT-1B Cell Tested Concentrations: 50 μM Incubation Duration: 0-1 hour Experimental Results: Retinoblastoma tumor suppressor protein (Rb) phosphorylation is affected in SKUT-1B cells and co-operates with CDK2 price combination. In vitro cellular assays for NU6300 are performed using cancer cell lines to assess CDK2 inhibition. These assays measure the compound's ability to inhibit Rb phosphorylation, induce cell cycle arrest, and reduce cell proliferation. The compound's covalent, irreversible binding is demonstrated by washout experiments showing sustained inhibition. |
| Animal Protocol |
In vivo animal studies for NU6300 are conducted in preclinical models to evaluate its effects on cell proliferation and tumor growth. These studies typically involve administration of the compound, followed by assessment of tumor growth inhibition, cell cycle markers, and pharmacodynamic markers of CDK2 inhibition.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of NU6300 are characterized by its molecular properties: molecular formula C₁₈H₂₀N₆O₃S and molecular weight 400.45 g/mol. The compound is a covalent, irreversible CDK2 inhibitor. Its pharmacokinetic profile supports its use in preclinical research for cell cycle and transcription studies.
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| Toxicity/Toxicokinetics |
Toxicology studies of NU6300 have been conducted to support its use in preclinical research. As a covalent CDK2 inhibitor, its toxicology profile includes effects on rapidly dividing cells, such as bone marrow and gastrointestinal epithelial cells. The compound's multi-target activity (CDK2, GSDMD, Keap1) may influence its safety profile.
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| References | |
| Additional Infomation |
NU6300 (CAS: 2070015-09-5) is a covalent, irreversible, and ATP-competitive CDK2 inhibitor with an IC₅₀ of 0.16 µM and a Kᵢ of 6 nM. It inhibits Rb phosphorylation and can be used for research of eukaryotic cell cycle- and transcription-related processes. The compound also inhibits GSDMD and Keap1 via covalent binding. It has a molecular formula of C₁₈H₂₀N₆O₃S and a molecular weight of 400.45 g/mol.
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| Molecular Formula |
C20H23N5O3S
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|---|---|
| Molecular Weight |
413.493322610855
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| Exact Mass |
413.152
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| CAS # |
2070015-09-5
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| PubChem CID |
118704754
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| Appearance |
White to off-white solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
641
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C=C)(C1C=CC(=CC=1)NC1=NC2=C(C(=N1)OCC1CCCCC1)NC=N2)(=O)=O
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| InChi Key |
KGWSQGUVJUGIPF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H23N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h2,8-11,13-14H,1,3-7,12H2,(H2,21,22,23,24,25)
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| Chemical Name |
6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
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| Synonyms |
NU 6300; NU-6300; NU6300
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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 : ≥ 32 mg/mL (~77.39 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 | 2.4184 mL | 12.0922 mL | 24.1844 mL | |
| 5 mM | 0.4837 mL | 2.4184 mL | 4.8369 mL | |
| 10 mM | 0.2418 mL | 1.2092 mL | 2.4184 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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