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Cinanserin hydrochloride

CAT: 0931-T14968-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14968-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54-84-2
Target
Influenza Virus, 5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Microbiology/Virology
Purity
0.9957
Bioactivity
Cinanserin hydrochloride (SQ 10643), a high-affinity antagonist of the 5-HT2 receptor (Ki: 41 nM), is also a 3C-like protease inhibitor of severe acute respiratory syndrome coronavirus.
Smiles
Cl.CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1
Molecular Formula
C20H25ClN2OS
Molecular Weight
376.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinanserin Hydrochloride

Cinanserin hydrochloride is the hydrochloride salt of cinanserin. It is an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus (SARS-Cov) and reduces virus replication in vitro. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent and an antiviral agent. It contains a cinanserin(1+).

CAS Number54-84-2
PubChem CID6433141
IUPAC Name(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
Molecular FormulaC20H25ClN2OS
Molecular Weight376.9
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity391
SMILES
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=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
Chemical Structure
2D Structure
2D structure of Cinanserin Hydrochloride
CAS: 54-84-2
CID: 6433141
Formula: C20H25ClN2OS
MW: 376.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass376.1376123
Monoisotopic Mass376.1376123
Topological Polar Surface Area57.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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