CBS1117 is a virus entry inhibitor with an IC50 of 70 nM for influenza A viruses, A/Puerto Rico/8/34 (H1N1). CBS1117 interferes with the hemagglutinin (HA)-mediated fusion process.

Physicochemical Properties

Molecular Formula	C15H20CL2N2O
Molecular Weight	315.238101959229
Exact Mass	314.095
CAS #	959245-08-0
PubChem CID	25236799
Appearance	White to off-white solid powder
LogP	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Complexity	320
Defined Atom Stereocenter Count	0
SMILES	O=C(C1C(Cl)=CC=CC=1Cl)NC1CCN(C(C)C)CC1
InChi Key	OUZZSIOQTSNTTI-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
Chemical Name	2,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
Synonyms	CHEMBL4438419; SCHEMBL24665417; DTXSID101198257; CBS-1117; STK492633;
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	H1N1(IC50= 70 nM)
ln Vitro	CBS1117 exhibits an excellent antiviral selectivity index value (SI value of 3914) in the human lung epithelial cell line (A549), owing to its higher CC50 value of 274 μM and lower IC50 value of 70 nM[1].
References	[1]. Identification of entry inhibitors with 4-aminopiperidine scaffold targeting group 1 influenza A virus. Antiviral Res. 2020 May;177:104782.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~793.05 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.60 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 (6.60 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 (6.60 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	3.1722 mL	15.8609 mL	31.7219 mL
	5 mM	0.6344 mL	3.1722 mL	6.3444 mL
	10 mM	0.3172 mL	1.5861 mL	3.1722 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.