| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
AN-3485 targets Toll-like receptors (TLRs), a family of pattern recognition receptors that play a critical role in the innate immune response by recognizing pathogen-associated molecular patterns (PAMPs) and damage-associated molecular patterns (DAMPs). Activation of TLRs triggers downstream signaling cascades (including MyD88 and TRIF pathways) that lead to the production of pro-inflammatory cytokines (TNF-alpha, IL-6, IL-1beta) and type I interferons. AN-3485 inhibits TLR-mediated signaling, thereby blocking inflammatory cytokine secretion. The compound shows IC₅0 values ranging from 18 to 580 nM, indicating potent activity across multiple TLRs. The benzoxaborole scaffold provides unique chemical properties for TLR inhibition.
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| ln Vitro |
In vitro, AN-3485 inhibits TLR-mediated inflammatory cytokine secretion with IC₅0 values ranging from 18 to 580 nM. The compound demonstrates significant anti-inflammatory activity by blocking TLR signaling pathways and reducing the production of pro-inflammatory cytokines such as TNF-alpha, IL-6, and IL-1beta. In cellular assays using macrophages or dendritic cells stimulated with TLR agonists (e.g., LPS for TLR4, poly(I:C) for TLR3, CpG for TLR9), AN-3485 concentration-dependently inhibits cytokine production. The compound's anti-inflammatory profile supports its use as a research tool for studying TLR-mediated inflammatory responses.
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| ln Vivo |
In vivo, AN-3485 is an orally active antagonist of the Toll-like receptor pathway. The compound's oral bioavailability and anti-inflammatory activity make it a valuable tool for studying TLR-mediated inflammation in vivo. AN-3485 has been investigated in preclinical models of inflammatory diseases where TLR signaling plays a pathogenic role. The compound inhibits TLR-mediated inflammatory cytokine secretion and has significant anti-inflammatory activity. However, specific in vivo efficacy data, dosing regimens, and pharmacokinetic profiles are limited in publicly available sources. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for AN-3485 involve measuring TLR activation and downstream signaling. HEK-293 cells expressing TLRs and NF-kappaB luciferase reporters are used. Cells are seeded in 96-well plates and treated with serial dilutions of AN-3485 (0.001-100 microM) prior to stimulation with TLR agonists (e.g., LPS for TLR4, poly(I:C) for TLR3, R848 for TLR7/8, CpG for TLR9). After 6-24 hours of stimulation, luciferase activity is measured to quantify NF-kappaB activation. IC₅0 values for inhibition of TLR-mediated signaling are calculated from dose-response curves. Cytokine production (TNF-alpha, IL-6, IL-1beta) in culture supernatants is measured by ELISA.
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| Cell Assay |
Cellular assays for AN-3485 are performed using immune cells such as macrophages (RAW 264.7, THP-1) or dendritic cells. Cells are cultured in appropriate medium and seeded in 96-well plates. Cells are treated with serial dilutions of AN-3485 (0.001-100 microM) for 1-2 hours prior to stimulation with TLR agonists. After 6-24 hours of stimulation, cytokine levels (TNF-alpha, IL-6, IL-1beta, IFN-beta) in culture supernatants are measured by ELISA or multiplex assay. Cell viability is assessed by MTT assay to ensure compound effects are not due to cytotoxicity. NF-kappaB activation is assessed by Western blotting for IkappaBalpha degradation and p65 phosphorylation. IC₅0 values for inhibition of cytokine production are calculated.
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| Animal Protocol |
In vivo animal studies for AN-3485 are conducted in rodent models of inflammatory diseases where TLR signaling plays a pathogenic role. In typical protocols, mice are administered AN-3485 orally at doses of 1-50 mg/kg once or twice daily for 1-14 days. In LPS-induced endotoxemia models, mice are challenged with LPS and cytokine levels in serum are measured. In models of autoimmune disease (e.g., collagen-induced arthritis, experimental autoimmune encephalomyelitis), disease severity is assessed by clinical scoring, histology, and cytokine profiling. Pharmacokinetic parameters are determined from plasma samples by LC-MS/MS. Efficacy is compared to vehicle control and standard anti-inflammatory agents.
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| ADME/Pharmacokinetics |
AN-3485 (CAS#: 1213827-99-6) has molecular formula C14H13BClNO3 and molecular weight 289.52. The compound is a benzoxaborole analog and an orally active antagonist of the Toll-like receptor pathway. It inhibits TLR-mediated inflammatory cytokine secretion with IC₅0 values ranging from 18 to 580 nM. The compound has significant anti-inflammatory activity. Purity is typically ≥95%. Storage should be at -20degC. The compound is soluble in DMSO. It is a research chemical for laboratory use only, not for human therapeutic applications.
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| References | |
| Additional Infomation |
AN-3485 (CAS#: 1213827-99-6) is a benzoxaborole analog and an orally active antagonist of the Toll-like receptor (TLR) signaling pathway. TLRs are pattern recognition receptors that play a critical role in the innate immune response by recognizing pathogen-associated and damage-associated molecular patterns. Activation of TLRs triggers inflammatory cytokine production through MyD88 and TRIF pathways. AN-3485 inhibits TLR-mediated inflammatory cytokine secretion with IC₅0 values ranging from 18 to 580 nM and has significant anti-inflammatory activity. The compound is used in research to study TLR-mediated inflammatory pathways and their roles in immune responses and inflammatory diseases. As of the current date, AN-3485 remains a preclinical research compound and is not approved for clinical use.
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| Molecular Formula |
C14H13BCLNO3
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|---|---|
| Molecular Weight |
289.521922826767
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| Exact Mass |
289.067
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| CAS # |
1213827-99-6
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| PubChem CID |
56929796
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
20
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| Complexity |
336
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=C(CN)C=CC=1OC1C=CC2COB(C=2C=1)O
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| InChi Key |
ZBLBFNKPCNPVLW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H13BClNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2
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| Chemical Name |
[3-chloro-4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]methanamine
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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 : ~5 mg/mL (~17.27 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 | 3.4540 mL | 17.2700 mL | 34.5399 mL | |
| 5 mM | 0.6908 mL | 3.4540 mL | 6.9080 mL | |
| 10 mM | 0.3454 mL | 1.7270 mL | 3.4540 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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