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| 2mg |
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| Targets |
The primary target of STING agonist-3 is STING (stimulator of interferon genes), a critical component of the innate immune response. By activating STING, it triggers a signaling cascade that leads to the production of type I interferons (e.g., IFN-β) and other pro-inflammatory cytokines. This activates the immune system and can promote antitumor immunity.
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| ln Vitro |
According to research using co-transfection of human embryonic kidney (HEK293T) cells expressing STING and a promoter activated by an interferon response element, STING agonist-3 has a pEC50 value of 7.5 when it comes to activating STING in cells [1]. propelled by luciferase from fireflies. In the FRET assay, STING agonist-3 showed a pIC50 value of 9.5. The purpose of this competition binding assay is to ascertain whether a molecule binds to the human STING C-termination domain (CTD) [1].
In vitro, STING agonist-3 induces dose-dependent activation of STING and secretion of IFN-β. It has a pEC50 of 7.5 in cell-based assays. Its activity is assessed by measuring IFN-β levels in cell culture supernatants by ELISA and by monitoring STING pathway activation via Western blot for downstream signaling proteins. |
| ln Vivo |
In vivo, STING agonist-3 has a durable anti-tumor effect. It has tremendous potential to improve the treatment of cancer. Its ability to activate the STING pathway and induce IFN-β secretion makes it a promising candidate for cancer immunotherapy. Further studies are needed to fully characterize its in vivo efficacy and safety.
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| Enzyme Assay |
For STING activation assays, cells (e.g., THP-1 or PBMCs) are treated with STING agonist-3. IFN-β levels in the supernatant are measured by ELISA. STING pathway activation is assessed by Western blot for phosphorylated TBK1 and IRF3. Cell viability is assessed by MTT assay.
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| Cell Assay |
For cellular studies, immune cells (e.g., PBMCs) are cultured in appropriate medium. STING agonist-3 is dissolved in DMSO and diluted in culture medium. Cells are treated with the compound. IFN-β and other cytokine levels are measured by ELISA. STING pathway activation is analyzed by Western blot.
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| Animal Protocol |
For in vivo efficacy studies, immunocompetent mice are implanted with syngeneic tumors. STING agonist-3 is formulated in vehicle and administered intratumorally or intravenously. Tumor growth is monitored. Immune cell infiltration and activation in the tumor microenvironment are analyzed by flow cytometry. Cytokine levels in plasma are measured.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for STING agonist-3 are not extensively reported. As a small molecule, it is expected to have moderate oral bioavailability. Its metabolism likely involves hepatic CYP450 enzymes. A comprehensive PK study would be needed for any potential therapeutic development.
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| Toxicity/Toxicokinetics |
Toxicological data for STING agonist-3 are limited. No acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As with all research compounds, appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
STING agonist-3 (CAS 2138299-29-1) is a non-nucleotide STING agonist with a pEC50 of 7.5. It induces IFN-β secretion and has anti-tumor effects. Its molecular formula is C₃₇H₄₂N₁₂O₆, and its molecular weight is 750.81. It is strictly for research use.
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| Molecular Formula |
C37H42N12O6
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|---|---|
| Molecular Weight |
750.8062
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| Exact Mass |
750.335
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| CAS # |
2138299-29-1
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| Related CAS # |
STING agonist-3 trihydrochloride
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| PubChem CID |
131986567
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| Appearance |
White to off-white solid powder
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
55
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| Complexity |
1390
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])C([H])([H])C([H])([H])O[H])C1=C([H])C(C(N([H])[H])=O)=C([H])C2=C1N(C(N([H])C(C1=C([H])C(C([H])([H])[H])=NN1C([H])([H])C([H])([H])[H])=O)=N2)C([H])([H])/C(/[H])=C(\[H])/C([H])([H])N1C(N([H])C(C2=C([H])C(C([H])([H])[H])=NN2C([H])([H])C([H])([H])[H])=O)=NC2C([H])=C(C(N([H])[H])=O)C([H])=C([H])C1=2
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| InChi Key |
VHCDRDBBENBVEK-BQYQJAHWSA-N
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| InChi Code |
InChI=1S/C37H42N12O6/c1-5-48-28(16-21(3)44-48)34(53)42-36-40-25-18-23(32(38)51)10-11-27(25)46(36)12-7-8-13-47-31-26(19-24(33(39)52)20-30(31)55-15-9-14-50)41-37(47)43-35(54)29-17-22(4)45-49(29)6-2/h7-8,10-11,16-20,50H,5-6,9,12-15H2,1-4H3,(H2,38,51)(H2,39,52)(H,40,42,53)(H,41,43,54)/b8-7+
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| Chemical Name |
1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazole-5-carboxamide
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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 : ~41.67 mg/mL (~55.50 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.77 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 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. Solubility in Formulation 2: 2.08 mg/mL (2.77 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (2.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3319 mL | 6.6595 mL | 13.3189 mL | |
| 5 mM | 0.2664 mL | 1.3319 mL | 2.6638 mL | |
| 10 mM | 0.1332 mL | 0.6659 mL | 1.3319 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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