WIN 54954

CAT: 0804-HY-106296-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-106296-06Size:100 mg

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Description

WIN 54954 is an orally active and broad-spectrum antipicornavirus agent. WIN 54954 is effectiveness against human rhinovirus, echovirus 9 and enterovirus infections[1][2].

CAS Number

107355-45-3

UNSPSC

12352005

Target

Enterovirus

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/win-54954.html

Purity

98.14

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

ClC1=C(OCCCCCC2=CC(C)=NO2)C(Cl)=CC(C3=NCCO3)=C1

Molecular Formula

C18H20Cl2N2O3

Molecular Weight

383.27

References & Citations

[1]Woods MG, et, al. In vitro and in vivo activities of WIN 54954, a new broad-spectrum antipicornavirus drug. Antimicrob Agents Chemother. 1989 Dec;33 (12) :2069-74.|[2]Fechner H, et, al. Pharmacological and biological antiviral therapeutics for cardiac coxsackievirus infections. Molecules. 2011 Oct 11;16 (10) :8475-503.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Win 54954

WIN54954 is an aromatic ether.

CAS Number	107355-45-3
PubChem CID	441048
IUPAC Name	5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Molecular Formula	C18H20Cl2N2O3
Molecular Weight	383.3
XLogP	4.6
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	440

SMILES

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=NCCO3)Cl

InChI

InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3

InChIKey

JJDHAOLOHQTGMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107355-45-3

CID: 441048

Formula: C18H20Cl2N2O3

MW: 383.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	383.3
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	382.0850979
Monoisotopic Mass	382.0850979
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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