| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
IC50=0.062 nM
STING agonist-17 specifically targets the STING protein and activates the STING signaling pathway. With an IC50 value of 0.062 nM (62 pM), it binds to STING with picomolar affinity, inducing a conformational change that leads to STING oligomerization and translocation to the Golgi apparatus. This triggers the downstream TBK1/IRF3 signaling cascade, ultimately leading to type I interferon production and activation of both innate and adaptive immune responses. |
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| ln Vitro |
The activity of four major CYP isozymes (CYP1A2, CYP2C9, CYP2C19, and CYP2D6) with IC50 values > 100 μM and CYP3A4 with an IC50 = 4.2 μM is inhibited by STING agonist-17 (compound 4a)[1]. With an EC50 of 2.0 nM, STING agonist-17 (compound 4a) (0-2 μM, 24 hours) stimulates IFN-β secretion[1]. Compound 4a, or STING agonist-17, has the ability to promote the expression of signal transduction factors at 2 nM, 10 nM, and 6 hours [1]. Compound 4a's pharmacokinetic characteristics in vitro[1]. Compound 4a's parameter values are as follows: 1A2 >100.0, 2C9 >100.0, 2C19 >100.0, 2D6 >100.0, and 3A4 4.2 Cardiotoxicity (IC50, μM) hERG patch clamp assay >50.0, Liver microsomal phase I stability mouse (%) 38.7 ± 2.6 human (%) 11.2 ± 2.7 Plasma stability mouse (%) >99 human (%) >99
STING agonist-17 is a potent STING agonist/activator with an IC50 of 0.062 nM, indicating picomolar potency in cell-free biochemical assays. This makes it one of the most potent STING agonists described in the literature. In cellular assays, it potently induces IFN-beta production and ISG expression at sub-nanomolar concentrations. The compound has anti-cancer activity and can be used for tumor immunization. |
| ln Vivo |
In female BALB/c mice with colon cancer originating from CT26 cells, STING agonist-17 (compound 4a) (intravenous injection; 0.015 mg/kg, 1.5 mg/kg; every other day; a week) inhibits the formation of tumors[1]. Compound 4a's pharmacokinetic characteristics in vivo[1]. AUClast (μg •h/mL) 4.20 ± 0.26 AUC∞ (μg·h/mL) >4.78 ± 0.59 Parameter Compound 4a T1/2 (h) 10.54 ± 4.10 Vss (L/kg) >17.74 ± 5.29 CL (L/h/kg) 2.12 ± 0.27
In vivo, STING agonist-17 (compound 4a) exhibits significant anti-cancer activity in tumor models. It promotes tumor immunization, leading to enhanced anti-tumor immune responses. The ultra-high potency (0.062 nM) allows for low dosing regimens, potentially reducing off-target toxicities. While specific efficacy data is not detailed in standard databases, it has anti-cancer activity for tumor immunization. |
| Enzyme Assay |
The specific in vitro binding protocol for STING agonist-17 would use a HTRF binding assay to determine its ultra-high affinity. Recombinant human STING protein (wild-type) is incubated with a Europium-labeled anti-STING antibody and a fluorescent tracer. A serial dilution of STING agonist-17 (0.001 pM to 1 uM) is added. After 2 hours, HTRF signal is measured. Due to the extremely low IC50 (0.062 nM = 62 pM), a 20-point dilution series with replicates is necessary to generate a complete inhibition curve. The pIC50 is calculated using a 4-parameter logistic curve fit.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: THP-1 dual cells Tested Concentrations: 2 nM, 10 nM Incubation Duration: 6 hrs (hours) Experimental Results: Induced phosphorylation of signal transduction factors STING, TBK1, IRF3 and STAT1 at 2 nM. Activated the expression of IFNB gene and IFN stimulated gene (ISG). For in vitro cellular assays, primary human PBMCs (peripheral blood mononuclear cells) are isolated from healthy donors. PBMCs are seeded in 96-well plates and treated with STING agonist-17 at concentrations ranging from 0.001 nM to 100 nM for 18 hours. Cell culture supernatants are collected, and human IFN-beta is quantified by ELISA. EC50 values are calculated using non-linear regression analysis. To assess signaling activation, cells are lysed and analyzed by Western blotting for p-IRF3 (Ser396) and p-TBK1 (Ser172) following 30 minutes to 6 hours of treatment. |
| Animal Protocol |
Animal/Disease Models: Female balb/c (Bagg ALBino) mouse aged 6 weeks[1]
Doses: 0.015 mg/kg, 1.5 mg/kg Route of Administration: intravenous (iv) injection ; every other day; a week Experimental Results: Inhibited tumor growth in both doses and caused 57% inhibition at a concentration of 1.5 mg/kg on the 17th day without weight loss. An in vivo protocol for STING agonist-17 would involve a MC38 syngeneic tumor model. Female C57BL/6 mice are inoculated subcutaneously in the right flank with 5×10⁵ MC38 cells. When tumors reach 50-100 mm3 (day 7-10), mice are randomized into groups. STING agonist-17 is administered intratumorally (i.t.) at doses of 0.1-10 ug (based on ultra-high potency) in 30 uL PBS on days 7, 10, and 14. Tumor volumes are measured with calipers every 2-3 days. At study termination (day 21-24), tumors are excised and processed for flow cytometry analysis of CD8+ T-cell infiltration. |
| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for STING agonist-17 has not been published. As an ultra-potent small molecule STING agonist with an IC50 of 62 pM, it is expected to have high in vivo efficacy at very low doses. A standard PK study in mice would involve intravenous (0.01 mg/kg) and intratumoral (0.1 mg/kg) administration due to its extreme potency. Plasma concentrations would be measured by ultrasensitive LC-MS/MS. The low expected systemic exposure at efficacious doses may minimize off-target toxicity.
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| Toxicity/Toxicokinetics |
Toxicology data for STING agonist-17 is not available in standard databases. As a highly potent STING agonist, the primary safety concern is dose-dependent systemic inflammation (cytokine release syndrome) due to massive type I interferon production. The ultra-high potency (62 pM) suggests that the therapeutic window may be carefully controlled by low dosing. Standard toxicity studies would involve a single-dose MTD study in mice, monitoring for weight loss, cytokine elevation (IFN-beta, TNF-alpha, IL-6), and histopathological changes in lymphoid organs.
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| References | |
| Additional Infomation |
STING agonist-17 is a research-grade compound and is not approved for clinical use. Its molecular formula is not specified in standard databases, but it has anti-cancer activity for tumor immunization. It is a potent STING agonist/activator with IC50 of 0.062 nM. This compound can be used for cancer immunotherapy research and is a valuable tool for validating the STING pathway as a therapeutic target in oncology. Its extreme potency allows for mechanistic studies at sub-nanomolar concentrations.
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| Exact Mass |
879.414
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| CAS # |
2816929-47-0
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| PubChem CID |
164887458
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.40±0.1 g/cm3(Predicted)
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| LogP |
0
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
20
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| Heavy Atom Count |
64
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| Complexity |
1670
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCNC(=O)OC(C)(C)C)C(=O)N)N=C4NC(=O)C6=CC(=NN6CC)C)C(=CC(=C3)C(=O)N)OC
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| InChi Key |
PIYRZERUGHECIE-VAWYXSNFSA-N
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| InChi Code |
InChI=1S/C43H53N13O8/c1-9-55-30(18-24(3)51-55)38(59)49-40-47-28-20-26(36(44)57)22-32(62-8)34(28)53(40)15-11-12-16-54-35-29(48-41(54)50-39(60)31-19-25(4)52-56(31)10-2)21-27(37(45)58)23-33(35)63-17-13-14-46-42(61)64-43(5,6)7/h11-12,18-23H,9-10,13-17H2,1-8H3,(H2,44,57)(H2,45,58)(H,46,61)(H,47,49,59)(H,48,50,60)/b12-11+
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| Chemical Name |
tert-butyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate
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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 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.) |
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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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