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| 5mg |
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| Targets |
SM360320 selectively targets Toll-like receptor 7 (TLR7), an innate immune receptor that recognizes single-stranded RNA and activates signaling pathways leading to interferon and cytokine production. The compound exhibits binding affinity for multiple human adenosine receptors, particularly the A2A receptor with a Ki value of 6.6 nM, and the A1 receptor with Ki values of 71.8 nM and 79.2 nM. As a TLR7 agonist, SM360320 activates the MyD88-dependent signaling pathway, leading to NF-κB activation and interferon regulatory factor (IRF) activation. The compound's immunomodulatory activity is mediated through TLR7-dependent mechanisms.
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| ln Vitro |
In vitro studies demonstrate that SM360320 is a potent and selective TLR7 agonist. The compound acts as an immunomodulator and exerts antitumor effects. SM360320 inhibits HCV replication in hepatocytes via a type I IFN-independent mechanism in addition to its IFN-mediated activity. The compound can act in synergy with DNA vaccines, leading to enhanced Th1 antibody responses. In cellular assays, SM360320 activates TLR7-dependent signaling pathways leading to cytokine production and immune cell activation. The compound shows selectivity for TLR7 over other TLRs.
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| ln Vivo |
In vivo studies show that SM360320 is orally active and exerts significant antitumor effects. As an immunomodulator, the compound can act in association with other therapeutic agents to enhance antitumor immunity. SM360320 can act in synergy with DNA vaccines leading to an enhanced Th1 antibody response in vivo. The compound's immunostimulatory activity promotes antitumor immune responses through TLR7 activation and subsequent cytokine production. Further in vivo studies are warranted to fully characterize the compound's efficacy in various tumor models and its potential as a vaccine adjuvant.
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| Enzyme Assay |
The in vitro TLR7 activation assay for SM360320 involves using HEK293 cells expressing human TLR7 and an NF-κB-driven reporter gene. Cells are treated with varying concentrations of SM360320 (0.1 nM-100 μM) for 6-24 hours. Luciferase activity is measured to quantify NF-κB activation. For cytokine production assays, human PBMCs or dendritic cells are treated with the compound and cytokine levels (IFN-α, TNF-α, IL-6, IL-12) are measured by ELISA. Adenosine receptor binding affinity is determined using radioligand binding assays with membrane preparations expressing A1, A2A, A2B, and A3 receptors. IC50/Ki values are calculated from dose-response curves.
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| Cell Assay |
In vitro cellular assays for SM360320 typically use human hepatocytes (for HCV replication studies) or immune cells (PBMCs, dendritic cells). Cells are cultured in appropriate media and treated with the compound at concentrations of 0.1-100 μM for 24-72 hours. HCV replication is measured by qPCR or luciferase reporter assay in HCV replicon cells. Cytokine production is measured by ELISA or Luminex assays. TLR7 signaling is assessed by Western blot analysis of phosphorylated downstream targets (NF-κB, IRF-7). Cell viability is assessed using MTT or CCK-8 assays. For synergy studies, cells are co-treated with DNA vaccines or other immunostimulatory agents.
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| Animal Protocol |
In vivo animal studies for SM360320 involve mouse tumor models and vaccine adjuvant studies. Mice bearing tumors are treated with the compound via oral gavage at doses of 1-50 mg/kg daily or on a scheduled basis for 2-4 weeks. Tumor volume is measured regularly and tumor weight is determined at necropsy. For vaccine adjuvant studies, mice are immunized with DNA vaccines plus SM360320, and antibody responses are measured by ELISA. Cytokine levels in plasma and tumor tissues are measured by ELISA. Immune cell populations in spleen and lymph nodes are characterized by flow cytometry. Survival analysis is performed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SM360320 indicate good oral bioavailability. The compound has a molecular weight of 315.33 and molecular formula of C15H17N5O3. It is soluble in DMSO and other organic solvents. The compound should be stored at -20°C for long-term preservation. After oral administration, the compound reaches systemic circulation and distributes to tissues. The immunomodulatory activity is observed within hours of administration. Further studies on plasma half-life, clearance, volume of distribution, and protein binding are needed to fully characterize its PK profile.
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| Toxicity/Toxicokinetics |
Toxicological data for SM360320 is not extensively reported. As an immunostimulatory TLR7 agonist, the compound may cause cytokine-related side effects including fever, flu-like symptoms, and immune-related adverse events. The compound is for research use only and not for human therapeutic applications. Standard safety precautions should be followed when handling. For detailed toxicity information, specialized toxicological studies would need to be performed in appropriate animal models.
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| References | |
| Additional Infomation |
SM360320 (also known as CL-087) is a research-grade compound with CAS number 226907-52-4. Its molecular formula is C15H17N5O3 and molecular weight is 315.33. The compound is a potent, orally active TLR7 agonist with immunomodulatory and antitumor activity. It can act in synergy with DNA vaccines to enhance Th1 antibody responses and inhibits HCV replication. The mechanism of action involves TLR7 activation leading to NF-κB activation, cytokine production, and immune stimulation. This compound has not advanced to clinical trials and is not FDA-approved. It is strictly for research purposes only.
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| Molecular Formula |
C15H17N5O3
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| Molecular Weight |
315.333
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| Exact Mass |
315.133
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| CAS # |
226907-52-4
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| PubChem CID |
10018576
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
626.4±65.0 °C at 760 mmHg
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| Flash Point |
332.6±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.675
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| LogP |
0.21
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
405
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YYCDGEZXHXHLGW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
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| Chemical Name |
6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8-one
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| Synonyms |
SM 360320 CL-087 1V136SM-360320 CL 087 CL087SM360320
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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 : ~125 mg/mL (~396.41 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 | 3.1713 mL | 15.8564 mL | 31.7128 mL | |
| 5 mM | 0.6343 mL | 3.1713 mL | 6.3426 mL | |
| 10 mM | 0.3171 mL | 1.5856 mL | 3.1713 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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