antiviral compound 24 is an effective antiviral compound with EC50s of 0.101, 19.9, and 91.2 µM against EV71, CVA21, and EV68, respectively. antiviral compound 24 inhibits METTL3/METTL14 activity in a dose-dependent manner.

Physicochemical Properties

Molecular Formula	C18H18N5O4F3
Molecular Weight	425.362
Exact Mass	425.131
CAS #	23661-03-2
PubChem CID	44423866
Appearance	White to off-white solid powder
LogP	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	30
Complexity	589
Defined Atom Stereocenter Count	4
SMILES	FC(F)(F)C1=CC=CC(CNC2=NC=NC3=C2N=CN3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1
InChi Key	SDQKDCSBWUSBDO-LSCFUAHRSA-N
InChi Code	InChI=1S/C18H18F3N5O4/c19-18(20,21)10-3-1-2-9(4-10)5-22-15-12-16(24-7-23-15)26(8-25-12)17-14(29)13(28)11(6-27)30-17/h1-4,7-8,11,13-14,17,27-29H,5-6H2,(H,22,23,24)/t11-,13-,14-,17-/m1/s1
Chemical Name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[3-(trifluoromethyl)phenyl]methylamino]purin-9-yl]oxolane-3,4-diol
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

ln Vitro	Antiviral agent 24 (compound 25) has an EC50 value of 129 µM and inhibits the activity of the METTL3/METTL14 complex, with a range of 0-1000 µM[1].
References	[1]. Rational design of novel nucleoside analogues reveals potent antiviral agents for EV71. Eur J Med Chem. 2022 Nov 24;246:114942.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (587.74 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.89 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 20.8 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: ≥ 2.08 mg/mL (4.89 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3509 mL	11.7547 mL	23.5095 mL
	5 mM	0.4702 mL	2.3509 mL	4.7019 mL
	10 mM	0.2351 mL	1.1755 mL	2.3509 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.