MERS-CoV-IN-1 could be utilized as an active molecular composition to prevent diseases caused by MERS-CoV and SARS viruses. Information is disclosed in patent WO2018174442A1, compound 1).

Physicochemical Properties

Molecular Formula	C19H17NO2
Molecular Weight	291.34
Exact Mass	291.125
CAS #	2245697-92-9
PubChem CID	142435957
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	22
Complexity	309
Defined Atom Stereocenter Count	0
SMILES	C1(N)=CC=CC=C1COC1=CC=C(OC2=CC=CC=C2)C=C1
InChi Key	OQSQUIZZPAFLIO-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H17NO2/c20-19-9-5-4-6-15(19)14-21-16-10-12-18(13-11-16)22-17-7-2-1-3-8-17/h1-13H,14,20H2
Chemical Name	2-[(4-phenoxyphenoxy)methyl]aniline
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	MERS-CoV and SARS[1]
References	[1]. Compound for treating diseases caused by coronavirus infection. Patent WO2018174442A1.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (858.10 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.14 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 (7.14 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (7.14 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 20.8 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	3.4324 mL	17.1621 mL	34.3242 mL
	5 mM	0.6865 mL	3.4324 mL	6.8648 mL
	10 mM	0.3432 mL	1.7162 mL	3.4324 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.