Cinanserin hydrochloride

Category	Influenza Virus
CAS	54-84-2
Description	Cinanserin hydrochloride is the hydrochloride salt of cinanserin, which is a 5-HT2 antagonist and an inhibitor of GPVI-mediated cell activation. It also acts as an inhibitor of CRP-XL- and collagen-induced Ca2+ release and aggregation. It is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus, and it strongly reduces virus replication in vitro.

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Product Information

Synonyms	Cinanserin HCl; Cinanserin Hydrochloride; SQ-10643; SQ 10643; SQ10643; NSC-125717; NSC 125717; NSC125717; (E)-N-[2-[3-(Dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide hydrochloride; N-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenyl-2-propenamide Hydrochloride; MAPTC; SQ 10643; 2'-[[3-(Dimethylamino)propyl]thio]cinnamanilide Hydrochloride
IUPAC Name	(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
Molecular Weight	376.94
Molecular Formula	C20H25N2OSCl
Canonical SMILES	CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
InChI	InChI=1S/C20H24N2OS.ClH/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17;/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23);1H/b14-13+;
InChIKey	LXGJPDKYMJJWRB-IERUDJENSA-N
Boiling Point	519.5°C at 760mmHg
Flash Point	268°C
Purity	≥99% by HPLC
Solubility	In Vitro: DMSO : 125 mg/mL(331.62 mM;Need ultrasonic) H2O : 100 mg/mL(265.29 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 (5.52 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (5.52 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (5.52 mM); Clear solution
Appearance	Light yellow to yellow (Solid)
Application	Serotonin Antagonists
Storage	4°C, sealed storage, away from moisture * In solvent : -80°C, 6 months -20°C, 1 month (sealed storage, away from moisture)
In Vitro	Cinnacillin/ocnamicillin hydrochloride has binding affinity with SARS-CoV 3CLpro, HCoV-229e3clpro, and KDs of SARS-CoV 3CLpro and human coronavirus 229E are 49.4 μM/78.0 μM and 18.2 μM/36.6 μM, respectively. The IC50 values of cinacillin and cinnacillin hydrochloride inhibiting the catalytic activity of SARS-CoV 3CLpro were 4.92 μM and 5.05 μM, respectively, and the IC50 values of HCoV-229e3clpro were 4.68 μM and 5.68 μM, respectively, and no compound had an inhibitory effect on HRV-143CLpro in the 200 μM concentration range.
PSA	57.64000
Target	5-HT Receptor; Influenza Virus