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Helioxanthin derivative 5-4-2

CAT: 0804-HY-16679-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16679-01Size:1 mg
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Description
Helioxanthin derivative 5-4-2 is an analogue of helioxanthin, exhibites significant in vitro anti-HBV activity with EC50 of 0.08 uM in HepG2.2.15 cells. IC50 value: 0.08 uM (EC50) [1][2] Target: Anti-HBV Helioxanthin derivative 5-4-2 had potent anti-HBV activities in HepG2.2.15 cells, with the EC50s of 1 and 0.08 microM, respectively. The lamivudine-resistant HBV, L526M/M550V double mutant strain, was also sensitive to helioxanthin and 5-4-2. This class of compounds not only inhibited HBV DNA, but also decreased HBV mRNA and HBV protein expression. The EC50 of HBV DNA inhibition was consistent with the EC50 of HBV 3.5 Kb transcript inhibition, which was 1 and 0.09 microM for helioxanthin and 5-4-2 respectively.
CAS Number
203935-39-1
Product Name Alternative
Helioxanthin 5-4-2
UNSPSC
12352005
Target
HBV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/helioxanthin-derivative-5-4-2.html
Purity
99.80
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1NCC2=C(C3=CC=C(OCO4)C4=C3)C5=C6C(OCO6)=CC=C5C=C21
Molecular Formula
C20H13NO5
Molecular Weight
347.32
References & Citations
[1]Yeo H, et al. Synthesis and antiviral activity of helioxanthin analogues. J Med Chem. 2005 Jan 27;48 (2) :534-46.|[2]Li Y, et al. Inhibition of hepatitis B virus gene expression and replication by helioxanthin and its derivative. Antivir Chem Chemother. 2005;16 (3) :193-201.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Helioxanthin derivative 5-4-2
CAS Number203935-39-1
PubChem CID5273792
IUPAC Name10-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
Molecular FormulaC20H13NO5
Molecular Weight347.3
XLogP3.3
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity585
SMILES
C1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)N1
InChI
InChI=1S/C20H13NO5/c22-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-21-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2,(H,21,22)
InChIKey
UVKXTQRJKHBAMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Helioxanthin derivative 5-4-2
CAS: 203935-39-1
CID: 5273792
Formula: C20H13NO5
MW: 347.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass347.07937252
Monoisotopic Mass347.07937252
Topological Polar Surface Area66 Ų
Heavy Atom Count26
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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