| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| Other Sizes |
| Targets |
USP5-IN-1 targets USP5 (ubiquitin-specific protease 5), a deubiquitinase that plays a critical role in the ubiquitin-proteasome system. USP5 is responsible for the disassembly of unanchored polyubiquitin chains, regulating the availability of free ubiquitin for protein degradation. By inhibiting USP5, the compound modulates ubiquitin signaling and protein homeostasis. USP5-IN-1 is selective for nine proteins containing structurally similar ZnF-UBD domains.
|
|---|---|
| ln Vitro |
In cell-free biochemical systems, USP5-IN-1 binds to the USP5 ZnF-UBD with a KD of 2.8 μM. The compound competitively blocks ubiquitin binding to ZnF-UBD, inhibiting USP5 catalytic activity and preventing ubiquitin chain hydrolysis. The compound's selectivity for USP5 over other ZnF-UBD-containing proteins has been demonstrated.
|
| ln Vivo |
In cell-based assays, USP5-IN-1 inhibits USP5 activity, leading to the accumulation of ubiquitin chains and modulation of protein degradation pathways. The compound's effects are evaluated in cancer cell lines by measuring USP5 activity, ubiquitin chain levels, and cell viability. USP5-IN-1 is widely used in cancer research to study the role of ubiquitin signaling in tumor growth and survival. It also offers therapeutic potential in neurodegenerative and inflammatory diseases.
|
| Enzyme Assay |
The cell-free assay for USP5 binding involves measuring the binding of the compound to the USP5 ZnF-UBD domain. This can be performed using surface plasmon resonance (SPR), fluorescence polarization, or isothermal titration calorimetry (ITC) to determine the KD of 2.8 μM. The compound's inhibition of USP5 catalytic activity can be assessed using deubiquitination assays with ubiquitin-AMC or polyubiquitin substrates.
|
| Cell Assay |
Cell-based assays for USP5-IN-1 involve culturing cancer cell lines and treating them with the compound at concentrations ranging from 0.1 to 100 μM. USP5 activity is assessed by measuring deubiquitination of substrates or by measuring ubiquitin chain levels by Western blotting. Cell viability is assessed using MTT or CCK-8 assays. The compound's effects on protein degradation pathways and cellular signaling are evaluated by Western blotting.
|
| Animal Protocol |
In animal models, USP5-IN-1 has been evaluated for its potential therapeutic effects in cancer, neurodegenerative, and inflammatory diseases. Typical studies involve administration of the compound to tumor-bearing mice or disease models via intraperitoneal or oral routes. Tumor growth, disease progression, and biomarker modulation are assessed. The compound's selectivity for USP5 over other deubiquitinases supports its potential as a therapeutic agent.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of USP5-IN-1 have not been extensively reported. As a small molecule with a molecular weight of 437.90 g/mol, the compound would be expected to have moderate oral bioavailability and tissue penetration. The compound is typically stored at low temperatures for research use. Further pharmacokinetic studies would be required for therapeutic development.
|
| Toxicity/Toxicokinetics |
USP5-IN-1 is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent. As a deubiquitinase inhibitor, the compound may have effects on normal cells as well as cancer cells. Standard toxicity studies in rodents would be required to determine the maximum tolerated dose and safety profile.
|
| References | |
| Additional Infomation |
USP5-IN-1 is a research-grade compound supplied for cancer, neurodegenerative, and inflammatory disease research. It is not an approved pharmaceutical and has no clinical trial history. The compound is a selective competitive inhibitor of USP5 ZnF-UBD with a KD of 2.8 μM. This product is intended for research use only.
|
| Molecular Formula |
C19H20CLN3O5S
|
|---|---|
| Molecular Weight |
437.89720249176
|
| Exact Mass |
437.081
|
| CAS # |
2851040-81-6
|
| PubChem CID |
155921308
|
| Appearance |
White to light yellow solid powder
|
| LogP |
2.1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
29
|
| Complexity |
682
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CN(CCC1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=C(C=C3)C(=O)NCC(=O)O
|
| InChi Key |
HIWYRXWPCQHOSO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
|
| Chemical Name |
2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 125 mg/mL (285.45 mM)
|
|---|---|
| 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 | 2.2836 mL | 11.4181 mL | 22.8363 mL | |
| 5 mM | 0.4567 mL | 2.2836 mL | 4.5673 mL | |
| 10 mM | 0.2284 mL | 1.1418 mL | 2.2836 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
