| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
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AT791 (AT-791) is a novel and potent inhibitor of TLR7 and TLR9 with anti-inflammatory and immunomodulatory effects. It inhibits TLR7 and TLR9 with IC50 of 3.33 uM and 0.04 uM respectively.
| ln Vitro |
AT791 has been shown to be able to effectively suppress HEK:TLR9 cell DNA stimulation (IC50 = 0.04 μM), but R848 (IC50 = 3.33 μM) has a substantially weaker effect on HEK:TLR7 cell stimulation [1]. Due to their lipophilicity and weakly basic amino acid content, AT791 and E6446 are typical "lysosomal" molecules. These substances have IC50s between 1 and 10 μM and behave non-polarly at neutral pH [1]. are polarizing membranes and sexual; yet, in low pH vesicles, they get protonated and imprisoned (de Duve et al., 1974). With respect to the lysosomal compartment, they satisfy a higher degree of protonation than in the cytoplasm, as demonstrated by capillary polarization, which yielded pKas of 7.9 and 6.1 for AT791 and 8.6 and 6.5 for E6446 [1].
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| ln Vivo |
AT791 (20 mg/kg; po) can efficiently block the CpG1668 DNA-induced short-term increase of serum interleukin-6 in mice [1].
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| References |
| Molecular Formula |
C23H31N3O3
|
|---|---|
| Molecular Weight |
397.510545969009
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| Exact Mass |
397.236
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| CAS # |
1219962-49-8
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| PubChem CID |
45256283
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
29
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| Complexity |
455
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C=CC2=C(C=1)OC(C1C=CC(=CC=1)OCCCN(C)C)=N2)CCCN(C)C
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| InChi Key |
JKFYWFWUJUHSMZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H31N3O3/c1-25(2)13-5-15-27-19-9-7-18(8-10-19)23-24-21-12-11-20(17-22(21)29-23)28-16-6-14-26(3)4/h7-12,17H,5-6,13-16H2,1-4H3
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| Chemical Name |
3-[4-[6-[3-(dimethylamino)propoxy]-1,3-benzoxazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
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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 (~251.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.29 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 25.0 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: ≥ 2.5 mg/mL (6.29 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 25.0 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: ≥ 2.5 mg/mL (6.29 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 | 2.5157 mL | 12.5783 mL | 25.1566 mL | |
| 5 mM | 0.5031 mL | 2.5157 mL | 5.0313 mL | |
| 10 mM | 0.2516 mL | 1.2578 mL | 2.5157 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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