Helioxanthin derivative 5-4-2

Category	Hepatitis B Virus (HBV)
CAS	203935-39-1
Description	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.

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Synonyms	Helioxanthin 5-4-2; Helioxanthin 5 4 2
Molecular Weight	347.32
Molecular Formula	C20H13NO5
Canonical 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
Purity	>98%
Solubility	In Vitro: DMSO : 50 mg/mL(143.96 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (7.20 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	585
Exact Mass	347.07937252
PSA	66.02000
Target	HBV
XLogP3-AA	3.3