| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
The compound targets the protein-protein interaction between SOD1 (specifically the G93A mutant form) and Derlin-1. Derlin-1 is a component of the endoplasmic reticulum-associated degradation (ERAD) pathway. By inhibiting the formation of the SOD1G93A-Derlin-1 complex, the compound interferes with the ERAD pathway, which is thought to play a role in the cellular toxicity associated with mutant SOD1 in ALS.
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| ln Vitro |
The SOD1-Derlin-1 complex is inhibited by SOD1-Derlin-1 inhibitor-1 (50 μM; 16 hours) with an IC50 value of 7.11 μM [1]. With a Kd value of 81.1 μM, SOD1G93A interacts with SOD1-Derlin-1 Inhibitor-1 (250 nM; 6 hours) [1].
In vitro, SOD1-Derlin-1 Inhibitor 56-20 potently disrupts the interaction between SOD1G93A and Derlin-1. The compound demonstrates an IC50 of 7.11 μM for inhibiting the formation of the SOD1G93A-Derlin-1 complex. This activity is typically measured in cell-free or cell-based assays that assess the binding or proximity of the two proteins. |
| ln Vivo |
In vivo, SOD1-Derlin-1 Inhibitor 56-20 has been suggested for use in research on amyotrophic lateral sclerosis (ALS). By inhibiting the SOD1-Derlin-1 interaction, the compound may mitigate the pathological effects of mutant SOD1 in animal models of ALS. However, specific in vivo efficacy data are limited. The compound is primarily used as a research tool to study the role of the SOD1-Derlin-1 interaction in ALS pathology.
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| Enzyme Assay |
In vitro binding assays for SOD1-Derlin-1 Inhibitor 56-20 typically measure the disruption of the SOD1-Derlin-1 interaction. These assays often use recombinant proteins or cellular lysates and employ techniques such as immunoprecipitation, pull-down assays, or proximity ligation assays to quantify the complex formation. The inhibition constant (IC50) of 7.11 μM for disrupting the SOD1G93A-Derlin-1 complex is determined using these methods.
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| Cell Assay |
In vitro cellular assays for SOD1-Derlin-1 Inhibitor 56-20 are typically conducted in cell models expressing mutant SOD1 (e.g., SOD1G93A). The compound is evaluated for its ability to reduce SOD1-Derlin-1 complex formation, restore ERAD function, and mitigate cellular toxicity. Endpoints may include cell viability, assessment of protein aggregation, and measurement of ER stress markers. These assays help to confirm the compound's mechanism of action in a cellular context.
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| Animal Protocol |
In vivo animal models for SOD1-Derlin-1 Inhibitor 56-20 are expected to involve transgenic mouse models of ALS that overexpress mutant SOD1 (e.g., SOD1G93A mice). The compound would typically be administered via intraperitoneal or oral routes to evaluate its effect on disease progression. Efficacy is assessed by measuring survival, motor function, and pathological markers such as SOD1 aggregation and motor neuron loss in the spinal cord.
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| ADME/Pharmacokinetics |
SOD1-Derlin-1 Inhibitor 56-20 has a molecular weight of 504.2 g/mol and a molecular formula of C19H12Br2N4OS. It is a solid powder with >98% purity. The compound is cell-permeable and suitable for both in vitro and in vivo studies. It is typically stored as a powder at -20°C for long-term stability. The compound is soluble in DMSO, which facilitates its use in cell-based assays and formulation for animal studies.
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| Toxicity/Toxicokinetics |
As an experimental compound for research use, the detailed toxicity profile of SOD1-Derlin-1 Inhibitor 56-20 is not extensively characterized. In cell-based assays, it has been shown to inhibit the SOD1-Derlin-1 interaction at micromolar concentrations without significant cytotoxicity. In animal studies, the compound's safety and tolerability would need to be established through standard preclinical toxicology assessments. General precautions for handling research chemicals should be followed.
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| References | |
| Additional Infomation |
SOD1-Derlin-1 Inhibitor 56-20 (compound 56-20) is a research tool for studying the role of the SOD1-Derlin-1 interaction in ALS pathology. It is a small-molecule inhibitor with an IC50 of 7.11 μM. The compound is not approved for clinical use and is strictly for research purposes only. Its development highlights the strategy of targeting protein-protein interactions involved in neurodegenerative diseases. Further studies are needed to evaluate its therapeutic potential.
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| Molecular Formula |
C19H12BR2N4OS
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|---|---|
| Molecular Weight |
504.20
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| Exact Mass |
501.91
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| Elemental Analysis |
C, 45.26; H, 2.40; Br, 31.70; N, 11.11; O, 3.17; S, 6.36
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| CAS # |
840461-03-2
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| PubChem CID |
1885718
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
542
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CN=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=C(C=C(C=C4)Br)Br)N
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| InChi Key |
WBPMNEHAAMMXEO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H12Br2N4OS/c20-11-3-5-15(13(21)8-11)24-18(26)17-16(22)12-4-6-14(25-19(12)27-17)10-2-1-7-23-9-10/h1-9H,22H2,(H,24,26)
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| Chemical Name |
3-amino-N-(2,4-dibromophenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
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| Synonyms |
SOD1-Derlin-1 Inhibitor 56-20; T60119; T-60119; T 60119;
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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 : ~2.7 mg/mL (~5.36 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 | 1.9833 mL | 9.9167 mL | 19.8334 mL | |
| 5 mM | 0.3967 mL | 1.9833 mL | 3.9667 mL | |
| 10 mM | 0.1983 mL | 0.9917 mL | 1.9833 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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