Resiquimod-d5 is Resiquimod with a deuterium label. Resiquimod is an agonist of Toll-like receptors 7 and 8 (TLR7/TLR8) that causes cytokines like TNF-α, IL-6, and IFN-α to be upregulated.

Physicochemical Properties

Molecular Formula	C17H22N4O2
Molecular Weight	319.41299200058
Exact Mass	319.205
CAS #	2252319-44-9
Related CAS #	Resiquimod;144875-48-9;Resiquimod;144875-48-9
PubChem CID	149852872
Appearance	Light yellow to brown solid powder
LogP	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Complexity	406
Defined Atom Stereocenter Count	0
SMILES	OC(C)(C)CN1C(COC([2H])([2H])C([2H])([2H])[2H])=NC2C(N)=NC3C=CC=CC=3C1=2
InChi Key	BXNMTOQRYBFHNZ-SGEUAGPISA-N
InChi Code	InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)/i1D3,4D2
Chemical Name	1-[4-amino-2-(1,1,2,2,2-pentadeuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Synonyms	5Y2577L8R8; UNII-5Y2577L8R8;
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
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

Targets	TLR7;TLR8
References	[1]. Adjuvant potential of resiquimod with inactivated Newcastle disease vaccine and its mechanism of action in chicken. Vaccine. 2015 Aug 26;33(36):4526-32. [2]. Immune effects of R848: evidences that suggest an essential role of TLR7/8-induced, Myd88- and NF-κB-dependent signaling in the antiviral immunity of Japanese flounder (Paralichthys olivaceus). Dev Comp Immunol. 2015 Mar;49(1):113-20.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~156.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.83 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 2: ≥ 1.25 mg/mL (3.91 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 12.5 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 3: ≥ 1.25 mg/mL (3.91 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 12.5 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	3.1308 mL	15.6539 mL	31.3077 mL
	5 mM	0.6262 mL	3.1308 mL	6.2615 mL
	10 mM	0.3131 mL	1.5654 mL	3.1308 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.