TLR8 agonist 5 is a potent TLR8 agonist/activator with EC50 of 20 nM for HEK-Blue hTLR8. TLR8 agonist 5 activates the immune response.

Physicochemical Properties

Molecular Formula	C31H40N6O5
Molecular Weight	576.686507225037
Exact Mass	576.306
CAS #	2413016-41-6
PubChem CID	146490380
Appearance	White to off-white solid powder
LogP	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	14
Heavy Atom Count	42
Complexity	882
Defined Atom Stereocenter Count	0
SMILES	O(CCNC(C(C)(C)NC(=O)OCC1C=CC=CC=1)=O)C(C)(C)CN1C(COCC)=NC2C(N)=NC3C=CC=CC=3C1=2
InChi Key	UXDUNZGDEXDOEZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C31H40N6O5/c1-6-40-19-24-35-25-26(22-14-10-11-15-23(22)34-27(25)32)37(24)20-30(2,3)42-17-16-33-28(38)31(4,5)36-29(39)41-18-21-12-8-7-9-13-21/h7-15H,6,16-20H2,1-5H3,(H2,32,34)(H,33,38)(H,36,39)
Chemical Name	benzyl N-[1-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Benzazepine compounds, conjugates, and uses thereof. WO2020056194.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (86.70 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.34 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 (4.34 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7340 mL	8.6702 mL	17.3403 mL
	5 mM	0.3468 mL	1.7340 mL	3.4681 mL
	10 mM	0.1734 mL	0.8670 mL	1.7340 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.