| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
The primary target of STING ligand-1 is the stimulator of interferon genes (STING) protein. STING is a key adaptor protein in the innate immune system that senses cytosolic DNA and triggers the production of type I interferons and inflammatory cytokines. STING ligand-1 binds to STING and activates the STING pathway, leading to the phosphorylation of TBK1 and IRF3, and the subsequent production of type I interferons (e.g., IFN-beta) and other cytokines. The compound exhibits an IC50 of 68 nM for HAQ STING, a common variant of STING. Its agonistic activity makes it a promising candidate for cancer immunotherapy.
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| ln Vitro |
STING ligand-1 (compound 18) inhibits STING-mediated cytokine release functionally [1].
In vitro, STING ligand-1 exhibits functional inhibition of STING-mediated cytokine release. It activates the STING pathway, leading to the production of type I interferons and inflammatory cytokines. The compound's activity is concentration-dependent, with an IC50 of 68 nM for HAQ STING. It has been shown to have potential in research related to inflammation and immunology. STING ligand-1 is a valuable tool for studying the STING pathway and for validating STING as a therapeutic target for cancer immunotherapy and the treatment of infectious diseases. Its in vitro activity supports its potential as an immune-stimulatory agent. |
| ln Vivo |
In vivo, STING ligand-1 has potential applications in cancer immunotherapy by activating the STING pathway to stimulate anti-tumor immune responses. As a STING agonist, it can induce the production of type I interferons and inflammatory cytokines, which are essential for activating T cells and other immune cells against tumors. The compound may also have applications in the treatment of infectious diseases by enhancing innate immune responses. Further in vivo studies are needed to evaluate its efficacy, pharmacokinetics, and safety in animal models. Its potential as an immune-stimulatory agent makes it a promising candidate for further development.
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| Enzyme Assay |
The in vitro binding activity of STING ligand-1 can be assessed using cell-free binding assays with recombinant STING protein. A typical protocol involves incubating the compound with purified STING protein and a fluorescent or radiolabeled probe in a binding buffer. The binding affinity (IC50 or Kd) is determined by measuring the displacement of the probe or by directly measuring the binding of the compound using techniques such as surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). The compound's ability to activate STING can be assessed using functional assays, such as measuring STING-mediated signaling in cell-free systems.
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| Cell Assay |
For in vitro cellular experiments, cells expressing STING (e.g., THP-1 cells, macrophages, or dendritic cells) are cultured in appropriate media and treated with STING ligand-1 at various concentrations (typically 0.1-100 microM). After treatment, cells are harvested, and STING pathway activation is assessed by measuring the phosphorylation of TBK1 and IRF3 by Western blot. Cytokine production (e.g., IFN-beta, IL-6, TNF-alpha) is measured by ELISA or qRT-PCR. The duration of treatment varies depending on the experimental design but typically ranges from 6 to 24 hours. The compound's effects on immune cell activation and function can also be assessed.
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| Animal Protocol |
In vivo animal experiments with STING ligand-1 would typically involve intratumoral or systemic administration in mouse models of cancer. A common protocol involves injecting the compound directly into tumors or administering it intravenously or intraperitoneally. The compound's ability to activate the STING pathway and induce anti-tumor immune responses is assessed by measuring tumor growth, immune cell infiltration, and cytokine levels in the tumor microenvironment. For infectious disease models, the compound is administered to infected animals, and its ability to enhance immune responses and clear the infection is assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for STING ligand-1 are not well-documented in the available literature. As a small molecule with a molecular weight of 523.98 g/mol and a molecular formula of C29H27ClFNO5, it is expected to have moderate lipophilicity. Its pharmacokinetic properties, including oral bioavailability, half-life, and tissue distribution, would need to be characterized in preclinical studies to support its development as a therapeutic agent. The compound is typically stored at -20degC and is stable for up to 3 years.
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| Toxicity/Toxicokinetics |
The toxicity profile of STING ligand-1 has not been extensively characterized. As a STING agonist that activates the innate immune system, potential toxicities may include excessive inflammation, cytokine release syndrome, and autoimmunity. These effects would need to be carefully evaluated in preclinical and clinical studies. The compound should be handled with standard laboratory precautions and is intended for research use only.
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| References | |
| Additional Infomation |
STING ligand-1 (Compound 18) is a lead STING pathway agonist with an IC50 of 68 nM for HAQ STING. It activates the STING pathway to induce type I interferons and inflammatory cytokines, thereby enhancing innate immune responses. STING ligand-1 has potential applications in cancer immunotherapy and the treatment of infectious diseases. It is a valuable tool for studying the STING pathway and its role in immunity and disease. The compound is available as a research compound and is not approved for clinical use.
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| Molecular Formula |
C29H27CLFNO5
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|---|---|
| Molecular Weight |
523.97979092598
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| Exact Mass |
523.156
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| CAS # |
2365039-41-2
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| PubChem CID |
135393515
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.322±0.06 g/cm3
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| Boiling Point |
685.0±55.0 °C
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| LogP |
5.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
37
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| Complexity |
851
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)(C)C1=C(C=C(C=C1)N2[C@@H]([C@H](C3=C(C2=O)C=C(C=C3)F)CC(=O)O)C4=CC5=C(C=C4)OCCO5)Cl
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| InChi Key |
JAIAHSWXASHNQH-CCLHPLFOSA-N
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| InChi Code |
InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1
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| Chemical Name |
2-[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic 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 : ~100 mg/mL (~190.85 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.77 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9085 mL | 9.5423 mL | 19.0847 mL | |
| 5 mM | 0.3817 mL | 1.9085 mL | 3.8169 mL | |
| 10 mM | 0.1908 mL | 0.9542 mL | 1.9085 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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