Helioxanthin 8-1

Category	Hepatitis B Virus (HBV)
CAS	840529-13-7
Description	Helioxanthin 8-1 is an analogue of helioxanthin, which exhibites significant in vitro anti-HBV/HCV/HSV-1/HIV activity. It showed the most potent antiHBV activity among those helioxanthin analogues tested. It exhibited moderately potent activity against HIV and effective inhibition on DHBV replication. It would therefore be promising to study helioxanthin analogues that contain a six-membered ring instead of the five-membered ring found in the lactam.

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Synonyms	Helioxanthin 8 1; Helioxanthin analogue 8-1; Helioxanthin analogue 8 1
IUPAC Name	11-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-g]phthalazine-7,10-dione
Molecular Weight	376.32
Molecular Formula	C20H12N2O6
Canonical SMILES	C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC5=C3C(=O)NNC5=O)C=CC6=C4OCO6
InChI	InChI=1S/C20H12N2O6/c23-19-11-5-9-2-4-13-18(28-8-26-13)16(9)15(17(11)20(24)22-21-19)10-1-3-12-14(6-10)27-7-25-12/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKey	PXSPEYYAEFFUMN-UHFFFAOYSA-N
Purity	>98%
Density	1.5±0.1 g/cm3
Solubility	In Vitro: DMSO : 10 mg/mL(26.57 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 1 mg/mL (2.66 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CD in saline) Solubility: ≥ 1 mg/mL (2.66 mM); Clear solution
Appearance	Light yellow to yellow (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	673
Exact Mass	376.06953611
Index Of Refraction	1.715
PSA	102.64000
Target	HBV
XLogP3-AA	2.9