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| Targets |
This compound targets Toll-like receptor 7 (TLR7) and Toll-like receptor 8 (TLR8), which are members of the TLR family involved in the recognition of single-stranded RNA and the activation of immune responses. TLR7/8 modulators have potential applications in treating autoimmune diseases, infections, and cancer. The compound modulates immune function by altering TLR7/8 signaling pathways.
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| ln Vitro |
Toll-like receptor modulator (compound 7) is a TLR7/8 modulator that has the ability to alter immune function [1].
In vitro activity of the Toll-like receptor modulator is characterized by its ability to modulate TLR7/8-mediated immune responses. The compound alters immune function in cell-based assays, demonstrating its potential as an immunomodulatory agent. Its activity is typically assessed by measuring TLR7/8-induced cytokine production, such as interferon-α and tumor necrosis factor-α, in immune cells treated with the compound. |
| ln Vivo |
In vivo activity data for the Toll-like receptor modulator are not extensively reported in the available literature. As a research tool, its primary application is in in vitro immunology studies to investigate TLR7/8 signaling pathways. The compound shows potential for treating a variety of conditions, including autoimmune diseases, infections, and cancer, but systematic in vivo efficacy studies are limited. Further research is needed to characterize its in vivo pharmacological effects.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for the Toll-like receptor modulator typically involve measuring its binding affinity to TLR7 and TLR8 using surface plasmon resonance (SPR) or other biophysical techniques. Competitive binding assays using radiolabeled ligands can also be employed to determine the compound's interaction with TLR7/8. These cell-free assays provide quantitative data on binding kinetics and affinity, helping to characterize the compound's mechanism of action as a TLR modulator.
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| Cell Assay |
In vitro cellular assays for the Toll-like receptor modulator are performed using immune cell lines or primary cells expressing TLR7 and TLR8. Cells are treated with the compound, and immune function is assessed by measuring the production of cytokines such as interferon-α, tumor necrosis factor-α, and interleukins. TLR7/8 activation is typically monitored using reporter gene assays or by quantifying downstream signaling pathway activation, including NF-κB and IRF pathways.
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| Animal Protocol |
In vivo animal experimental protocols for the Toll-like receptor modulator are not well established in the published literature. As a research compound primarily used for in vitro studies, detailed in vivo protocols have not been extensively documented. For potential in vivo applications, the compound would likely be administered via oral or parenteral routes, and efficacy would be evaluated in disease models such as autoimmune or infectious disease models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of the Toll-like receptor modulator have not been systematically characterized in the available literature. The compound has a molecular weight of 348.27 and molecular formula C15H13F5N2O2. Its fluorinated structure suggests potential for improved metabolic stability and bioavailability. Further PK studies are needed to determine its absorption, distribution, metabolism, and excretion profile in vivo.
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| Toxicity/Toxicokinetics |
Toxicological data for the Toll-like receptor modulator are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Toll-like receptor modulator (compound 7) is a research-grade chemical with CAS number 926927-42-6, molecular formula C15H13F5N2O2, and molecular weight 348.27. It appears as a light yellow to yellow solid. The compound is also known as ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate. It functions as a TLR7/8 modulator that regulates immune function and has potential applications in autoimmune diseases, infections, and cancer. This product is for research use only.
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| Molecular Formula |
C15H13N2O2F5
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| Molecular Weight |
348.26792
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| Exact Mass |
348.09
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| CAS # |
926927-42-6
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| PubChem CID |
15953875
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.41 g/cm3
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| Boiling Point |
403ºC at 760 mmHg
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| LogP |
3.815
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
557
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ICZPANLPYRTVSF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)
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| Chemical Name |
ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate
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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 (~287.13 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.5 mg/mL (10.05 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 35.0 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: ≥ 3.5 mg/mL (10.05 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 35.0 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: ≥ 3.5 mg/mL (10.05 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 | 2.8713 mL | 14.3567 mL | 28.7134 mL | |
| 5 mM | 0.5743 mL | 2.8713 mL | 5.7427 mL | |
| 10 mM | 0.2871 mL | 1.4357 mL | 2.8713 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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