| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
p62[1]
XIE62-1004-A targets the ZZ-domain of the p62 protein (also known as sequestosome-1, SQSTM1). p62 is a multifunctional scaffolding protein that plays a critical role in selective autophagy. It acts as a receptor for ubiquitinated cargo and interacts with the autophagy protein LC3 to target cargo for degradation. The ZZ domain of p62 is a protein interaction domain that mediates binding to specific ligands. By binding to the ZZ domain, XIE62-1004-A induces a conformational change in p62, promoting its oligomerization. This oligomerization enhances the interaction between p62 and LC3, thereby activating p62-dependent autophagy. |
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| ln Vitro |
In vitro, XIE62-1004-A is an inducer of the p62-LC3 interaction. It binds to the ZZ domain of p62, inducing p62 oligomerization and activating p62-dependent autophagy. The compound's activity can be assessed in cell-based assays by measuring the formation of p62-LC3 complexes, the induction of autophagy (e.g., by monitoring LC3-II levels), and the degradation of autophagy substrates. XIE62-1004-A is a valuable tool for studying the regulation of autophagy and the role of p62 in this process.
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| ln Vivo |
In vivo activity data for XIE62-1004-A are not available in the current scientific literature. As an inducer of p62-dependent autophagy, the compound would be expected to have potential for in vivo studies in models of diseases where autophagy plays a role, such as neurodegenerative diseases, cancer, and infectious diseases. However, specific animal model studies, dosing regimens, and quantitative outcomes have not been reported. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties.
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| Enzyme Assay |
In vitro binding assay protocols for XIE62-1004-A would typically involve assessing its binding to the p62 ZZ domain. A standard protocol would involve using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to measure the binding affinity (Kd). Alternatively, a fluorescence polarization assay using a fluorescently labeled peptide or small molecule that binds to the ZZ domain can be used to assess competitive binding.
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| Cell Assay |
In vitro cell-based assay protocols for XIE62-1004-A would typically involve treating cells with the compound to assess its effects on autophagy. A standard protocol would involve treating cells with varying concentrations of XIE62-1004-A for 4-24 hours. Autophagy is assessed by measuring LC3-II levels by Western blot, by using an autophagy reporter (e.g., GFP-LC3), or by measuring the degradation of autophagy substrates such as p62 itself. The interaction between p62 and LC3 can be assessed by co-immunoprecipitation. Appropriate controls include vehicle-treated cells and cells treated with a known autophagy inducer or inhibitor.
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| Animal Protocol |
In vivo animal experimental protocols for XIE62-1004-A have not been reported. Based on its mechanism of action, potential studies might involve using mouse models of diseases where autophagy is implicated. A hypothetical protocol would involve administering the compound via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Endpoints would include assessment of autophagy induction in tissues (e.g., by measuring LC3-II levels), evaluation of disease pathology, and assessment of the compound's effects on disease progression.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of XIE62-1004-A have not been characterized in published studies. The compound has a molecular weight of 399.91. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's metabolism, protein binding, and routes of elimination remain to be characterized.
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| References | |
| Additional Infomation |
XIE62-1004-A is a research-grade compound that functions as an inducer of p62-dependent autophagy by binding to the ZZ domain of p62. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves promoting p62 oligomerization and activating autophagy. The compound is available exclusively for research purposes.
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| Molecular Formula |
C23H26CLNO3
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|---|---|
| Molecular Weight |
399.910445690155
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| Exact Mass |
399.16
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| CAS # |
2421146-32-7
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| PubChem CID |
126601715
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
28
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| Complexity |
380
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CNCCO)OCC3=CC=CC=C3.Cl
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| InChi Key |
ROURICFSUKPJOO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25NO3.ClH/c25-14-13-24-16-21-11-12-22(26-17-19-7-3-1-4-8-19)23(15-21)27-18-20-9-5-2-6-10-20;/h1-12,15,24-25H,13-14,16-18H2;1H
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| Chemical Name |
2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethanol;hydrochloride
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 (~312.57 mM; with sonication)
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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 | 2.5006 mL | 12.5028 mL | 25.0056 mL | |
| 5 mM | 0.5001 mL | 2.5006 mL | 5.0011 mL | |
| 10 mM | 0.2501 mL | 1.2503 mL | 2.5006 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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