| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
S6K1-IN-1 targets p70S6K1 (ribosomal protein S6 kinase beta-1), a serine/threonine protein kinase that is a downstream effector of the mTORC1 complex. S6K1 phosphorylates the ribosomal protein S6 and other substrates involved in protein synthesis, cell growth, and metabolism. The compound is a selective inhibitor with an IC50 of 52 nM. It does not significantly inhibit other related kinases in the AGC family, making it a valuable tool for studying S6K1-specific functions in the mTOR pathway.
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| ln Vitro |
In vitro, S6K1-IN-1 demonstrates potent inhibition of p70S6K1 with an IC50 of 52 nM. It shows selectivity for S6K1 over other kinases, making it a useful tool for dissecting S6K1-specific signaling events. The compound inhibits S6K1 activity in cell-based assays, reducing phosphorylation of downstream substrates such as ribosomal protein S6. In cancer cell lines, S6K1-IN-1 inhibits cell proliferation and induces apoptosis by blocking mTORC1-mediated survival signals. Detailed IC50 values against specific cancer cell lines are not extensively reported in the available literature.
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| ln Vivo |
In vivo, S6K1-IN-1 is expected to inhibit S6K1 activity and suppress mTORC1 signaling in animal models. As a tool compound for cancer research, it may be used in xenograft mouse models to assess the anti-tumor efficacy of S6K1 inhibition. The compound would be administered orally or intraperitoneally, and tumor growth inhibition, S6K1 phosphorylation status, and downstream signaling markers would be evaluated. However, specific in vivo efficacy data for this compound are not extensively reported in the available literature.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for S6K1-IN-1 typically involve kinase activity assays using purified recombinant p70S6K1 enzyme. The assay is performed in 96-well plates with kinase buffer (25 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.01% Triton X-100). The compound is incubated with the enzyme, ATP (10 μM), and a peptide substrate (e.g., S6 ribosomal protein-derived peptide) at 30°C for 60 minutes. Phosphorylated substrate is detected using a specific antibody in an ELISA or TR-FRET format. The IC50 is determined from dose-response curves (typically 0.1 nM to 10 μM).
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| Cell Assay |
In vitro cellular assays for S6K1-IN-1 use cancer cell lines such as HEK293, HeLa, or various cancer cells that express S6K1. Cells are cultured in DMEM with 10% FBS and treated with various concentrations of the compound (typically 0.01-10 μM) for 4-24 hours. S6K1 activity is assessed by Western blotting for phosphorylated S6K1 (Thr389) and its downstream substrate phosphorylated ribosomal protein S6 (Ser235/236). Cell proliferation is measured using MTT or BrdU incorporation assays after 48-72 hours of treatment. Apoptosis is assessed by caspase-3/7 activity or Annexin V staining.
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| Animal Protocol |
In vivo animal studies with S6K1-IN-1 typically use mouse xenograft models of cancer. Nude mice are implanted subcutaneously with cancer cells (e.g., breast, prostate, or lung cancer cells). When tumors reach approximately 100-200 mm3, mice are randomized and treated with the compound at doses of 10-50 mg/kg administered orally or intraperitoneally, daily or every other day for 2-4 weeks. Tumor volume is measured every 2-3 days using calipers. At study termination, tumors are harvested for analysis of S6K1 phosphorylation, Ki67 proliferation index, and apoptosis markers (cleaved caspase-3).
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of S6K1-IN-1: The compound is a small molecule with a molecular weight of 358.41 and is expected to have moderate oral bioavailability. It is soluble in DMSO and other organic solvents. The compound is typically formulated in PEG400 or carboxymethylcellulose for in vivo administration. Metabolic stability is likely moderate due to the presence of heterocyclic rings. The compound is expected to be metabolized by hepatic CYP450 enzymes. The elimination half-life and volume of distribution are not extensively reported in the available literature. Tissue distribution is expected to be widespread due to its lipophilic nature.
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| Toxicity/Toxicokinetics |
The toxicity profile of S6K1-IN-1 is not extensively reported in the available literature. As a kinase inhibitor, it may have off-target effects at higher concentrations. The compound is for research use only and not for human therapeutic use. Standard toxicity studies would include assessment of cytotoxicity in normal cell lines (e.g., HEK293, NIH3T3) using MTT assays. Acute toxicity in rodents would involve single-dose administration with monitoring of body weight, clinical signs, and histopathology. No specific genotoxicity, cardiotoxicity (hERG), or hepatotoxicity data are reported.
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| References | |
| Additional Infomation |
S6K1-IN-1 (S6K-18) is a potent and selective p70S6K1 inhibitor with an IC50 of 52 nM. It is a valuable research tool for studying the mTOR/S6K1 signaling pathway, which is frequently dysregulated in cancer, diabetes, and aging. The compound is used in cell biology and cancer research to investigate the role of S6K1 in cell growth, proliferation, metabolism, and autophagy. It has potential applications in studying mTOR inhibitor resistance mechanisms. The compound is not approved for clinical use and is available for research purposes only. Its selectivity and potency make it a useful alternative to rapamycin for dissecting mTORC1-S6K1-specific effects.
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| Molecular Formula |
C17H18N4O3S
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| Molecular Weight |
358.4148
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| Exact Mass |
358.109
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| CAS # |
1265789-88-5
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| PubChem CID |
53317853
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| Appearance |
Off-white to pink solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
494.9±45.0 °C at 760 mmHg
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| Flash Point |
253.1±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.746
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| LogP |
5.22
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
525
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC3=C(C=C2)NN=C3)C(=O)O
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| InChi Key |
BSRFCMMJUFQEOX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H18N4O3S/c1-17(2,3)13-7-11(15(22)23)14(25-13)20-16(24)19-10-4-5-12-9(6-10)8-18-21-12/h4-8H,1-3H3,(H,18,21)(H,22,23)(H2,19,20,24)
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| Chemical Name |
5-tert-butyl-2-(1H-indazol-5-ylcarbamoylamino)thiophene-3-carboxylic acid
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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 : ~125 mg/mL (~348.76 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 | 2.7901 mL | 13.9505 mL | 27.9010 mL | |
| 5 mM | 0.5580 mL | 2.7901 mL | 5.5802 mL | |
| 10 mM | 0.2790 mL | 1.3951 mL | 2.7901 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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