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Cinanserin

CAT: 0931-T71350-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71350-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1166-34-3
Target
Others, SARS-CoV, 5-HT Receptor
Related Pathways
Microbiology/Virology, Others, GPCR/G Protein, Neuroscience
Bioactivity
Cinanserin is a serotonin 5-HT2 antagonist.
Smiles
S(CCCN(C)C)C1=C(NC(C=CC2=CC=CC=C2)=O)C=CC=C1
Molecular Formula
C20H24N2OS
Molecular Weight
340.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinanserin

Cinanserin is an aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent and an antiviral agent. It is a secondary carboxamide, a member of cinnamamides, an aryl sulfide and a tertiary amino compound. It is a conjugate base of a cinanserin(1+).

CAS Number1166-34-3
PubChem CID5475158
IUPAC Name(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Molecular FormulaC20H24N2OS
Molecular Weight340.5
XLogP4.1
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity391
SMILES
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H24N2OS/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)/b14-13+
InChIKey
RSUVYMGADVXGOU-BUHFOSPRSA-N
Chemical Structure
2D Structure
2D structure of Cinanserin
CAS: 1166-34-3
CID: 5475158
Formula: C20H24N2OS
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass340.16093457
Monoisotopic Mass340.16093457
Topological Polar Surface Area57.6 Ų
Heavy Atom Count24
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-133828Cinanserin
B6309-10Cinanserin hydrochloride
562891Cinanserin HCl
HY-100943-01Cinanserin (hydrochloride)
HY-100943RCinanserin (hydrochloride) (Standard)

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