CBS1117

Category	Influenza Virus
CAS	959245-08-0
Description	CBS1117 is an effective inhibitor of influenza A virus entry, which can inhibit influenza virus hemagglutinin.

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Synonyms	2,6-Dichloro-N-[1-(Propan-2-Yl)Piperidin-4-Yl]Benzamide
IUPAC Name	2,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
Molecular Weight	315.2
Molecular Formula	C15H20Cl2N2O
Canonical SMILES	CC(C)N1CCC(CC1)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI	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)
InChIKey	OUZZSIOQTSNTTI-UHFFFAOYSA-N
Boiling Point	409.3±45.0 °C(Predicted)
Purity	98%
Density	1.24±0.1 g/cm3(Predicted)
Solubility	In Vitro: DMSO : 250 mg/mL(793.05 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (6.60 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (6.60 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (6.60 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Store at -20°C
Complexity	320
Exact Mass	314.0952687
In Vitro	CBS1117 has a lower IC50 value of 70 nM and higher CC50 value of 274 μM, leading to an excellent antiviral selectivity index value (SI value of 3914) in human lung epithelial cell line (A549).
Target	IC50: 70 nM (H1N1)
XLogP3-AA	3.8