| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C18H22N6O3S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
NU6102 is a potent inhibitor of CDK1 and CDK2, with IC50 values of 9.5 nM for CDK1/cyclin B and 5.4 nM for CDK2/cyclin A3. It shows selectivity for CDK1/CDK2 over CDK4 (IC50 1.6 μM), DYRK1A (IC50 0.9 μM), PDK1 (IC50 0.8 μM) and ROCKII (IC50 0.6 μM)[1][2]. It is supplied as a white to yellow solid (C18H22N6O3S, MW 402.47) at 99.23% purity.
Physical & Chemical Properties
| CAS Number | 444722-95-6 |
|---|---|
| Molecular Formula | C18H22N6O3S |
| Molecular Weight | 402.47 g/mol |
| Purity | 99.23% |
| Appearance | Solid |
| Color | White to yellow |
| SMILES | O=S(C1=CC=C(NC2=NC(OCC3CCCCC3)=C4N=CNC4=N2)C=C1)(N)=O |
| Target | Cdk1/cyclin B, CDK2/cyclin A3, CDK4, DYRK1A, PDK1 |
| Signaling Pathway | Cell Cycle/DNA Damage |
| Solubility | In Vitro: DMSO: 100 mg/mL (248.47 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
[1][2]
|
Cdk1/cyclin B 9.5 nM (IC50) |
CDK2/cyclin A3 5.4 nM (IC50) |
CDK4 1.6 μM (IC50) |
DYRK1A 0.9 μM (IC50) |
PDK1 0.8 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (248.47 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (6.21 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (6.21 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (6.21 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
NU6102 (0-30 μM; 1-24 hours; SKUT 1B cells) induces G2 arrest, inhibition of Rb phosphorylation, and cytotoxicity in SKUT-1B cells (LC50 2.6 μM for a 24 h exposure)[3]. In human breast cancer cell lines, NU6102 inhibits cell growth and causes cell cycle phase arrest: G2/M arrest in asynchronously growing cells and G1/S arrest in cells released from serum starvation. Arrest is also seen in Xenopus nuclei, in a time-dependent manner[3]. NU6102 selectively inhibits growth of CDK2 WT (wild type) MEFs compared with KO MEFs (knockout mouse embryo fibroblasts), with GI50 values of 14 μM versus >30 μM[3].
Cell Cycle Analysis[3]
| Cell Line | SKUT 1B cells |
|---|---|
| Concentration | 0 μM, 3 μM, 10 μM, and 30 μM |
| Incubation Time | 1 hours, 3 hours, 6 hours, and 24 hours |
| Result | Induced a G2 arrest, inhibition of Rb phosphorylation and cytotoxicity (LC50 2.6 μM for a 24 h exposure). |
In Vivo
Pharmacokinetics of NU6102 were determined after i.v. and i.p. dosing in Balb/C mice. Because NU6102 has limited solubility, the maximum dose that could be given was 1 mg/kg i.v. and 10 mg/kg i.p. Administering NU6301 by either the i.p. or i.v. route releases NU6102. After i.v. administration, peak plasma levels of 12 μM NU6102 are seen 5 min post administration, whereas the peak concentration reached after i.v. dosing of NU6102 itself at the maximum dose is 0.92 μM. The plasma half-life of NU6102 released from NU6301 is 42 min after i.p. and 10 min after i.v. administration[3].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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