| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
USP8-IN-1 targets ubiquitin-specific protease 8 (USP8), a deubiquitinating enzyme that cleaves ubiquitin from substrate proteins. USP8 is involved in the regulation of endosomal trafficking, receptor recycling, and protein degradation. It is also implicated in the pathogenesis of certain cancers, including Cushing's disease and lung cancer. By inhibiting USP8, the compound may modulate protein stability and signaling pathways involved in tumor growth.
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| ln Vitro |
In vitro, USP8-IN-1 is a potent, selective inhibitor of USP8. It shows inhibitory activity against the enzyme, with potential applications in cancer research. However, specific IC50 values and detailed in vitro activity data are not extensively reported in the available literature. The compound is used as a research tool for studying the role of USP8 in various biological processes.
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| ln Vivo |
In vivo, USP8-IN-1 is orally active and expected to show efficacy in animal models of cancer by inhibiting USP8 activity. However, specific in vivo efficacy data and dosing regimens are not extensively reported in the available literature. The compound is primarily used as a research tool.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for USP8-IN-1 typically involve deubiquitinase activity assays using purified recombinant USP8 enzyme. The assay is performed in 96-well plates with assay buffer (50 mM Tris-HCl pH 7.5, 5 mM DTT, 0.01% Triton X-100). The compound (typically 0.001-100 μM) is incubated with the enzyme and a ubiquitin-AMC substrate at 37°C for 30-60 minutes. Fluorescence is measured at excitation 360 nm and emission 460 nm. The IC50 is determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for USP8-IN-1 use cancer cell lines expressing USP8. Cells are cultured in appropriate media and treated with various concentrations of the compound (0.001-10 μM) for 1-24 hours. USP8 activity is measured by assessing ubiquitination levels of USP8 substrates (e.g., EGFR) by Western blotting. Cell viability is assessed using MTT assays. Apoptosis is assessed by caspase-3/7 activity.
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| Animal Protocol |
In vivo animal studies with USP8-IN-1 would typically use mouse xenograft models of cancer. Immunodeficient mice are implanted subcutaneously with cancer cells. When tumors reach approximately 100-200 mm3, mice are treated with the compound orally at doses of 1-30 mg/kg daily for 2-4 weeks. Tumor volume is measured every 2-3 days. At study termination, tumors are harvested for analysis of USP8 activity and apoptosis markers.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of USP8-IN-1: The compound is orally active, indicating good oral bioavailability. Specific PK parameters such as Cmax, Tmax, AUC, half-life, and tissue distribution are not extensively reported. The compound is expected to be metabolized by hepatic CYP450 enzymes.
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| Toxicity/Toxicokinetics |
The toxicity profile of USP8-IN-1 is not extensively reported. As a deubiquitinase inhibitor, potential toxicities may include effects on protein homeostasis and cell survival. The compound is for research use only and not for human therapeutic use. Standard toxicity studies would include acute and subchronic toxicity in rodents.
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| References | |
| Additional Infomation |
USP8-IN-1 (CAS 2477650-96-5) is a potent, selective, and orally active inhibitor of ubiquitin-specific protease 8 (USP8). It is used in research on cancer and endosomal trafficking. However, specific IC50 values and detailed activity data are not extensively reported. The compound is available for research purposes only.
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| Molecular Formula |
C18H21N5O3S
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|---|---|
| Molecular Weight |
387.46
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| Exact Mass |
387.136
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| CAS # |
2477650-96-5
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| PubChem CID |
163408888
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
516
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C(NC2=CC=C([N+]([O-])=O)C=C2)=S)CCN(C2=CC=C(OC)C=C2N)CC1
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| InChi Key |
LYQOAIJZQPUZEF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H21N5O3S/c1-26-15-6-7-17(16(19)12-15)21-8-10-22(11-9-21)18(27)20-13-2-4-14(5-3-13)23(24)25/h2-7,12H,8-11,19H2,1H3,(H,20,27)
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| Chemical Name |
4-(2-amino-4-methoxyphenyl)-N-(4-nitrophenyl)piperazine-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 : ~125 mg/mL (~322.61 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5809 mL | 12.9046 mL | 25.8091 mL | |
| 5 mM | 0.5162 mL | 2.5809 mL | 5.1618 mL | |
| 10 mM | 0.2581 mL | 1.2905 mL | 2.5809 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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