Dehydrojuncusol

Category	HCV Protease
CAS	117824-04-1
Description	Dehydrojuncusol, a potent HCV inhibitor, targets HCV NS5A and is able to inhibit RNA replication of replicons harboring resistance mutations to anti-NS5A direct-acting antivirals. Dehydrojuncusol significantly inhibits HCV infection when added after virus inoculation of HCV genotype 2a (EC50=1.35 µM).

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Synonyms	Dehydrojuncusol\|117824-04-1\|CHEMBL4060785\|HY-N8188\|CS-0140285
IUPAC Name	5-ethenyl-1,6-dimethylphenanthrene-2,7-diol
Molecular Weight	264.324
Molecular Formula	C18H16O2
Canonical SMILES	CC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)C=C)C)O)O
InChI	InChI=1S/C18H16O2/c1-4-13-10(2)17(20)9-12-5-6-14-11(3)16(19)8-7-15(14)18(12)13/h4-9,19-20H,1H2,2-3H3
InChIKey	IZVFYHBVHNNKGE-UHFFFAOYSA-N
Purity	97.0%
Solubility	Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Appearance	Powder
Storage	Store at -20 °C.
Complexity	366
Exact Mass	264.115029749
In Vitro	Dehydrojuncusol (Huh-7 cells were infected with HCV in cell culture; 0-9.4 μM; 48 hours) inhibits HCV infection in a dose- dependent manner. Dehydrojuncusol inhibits HCV infection in Primary human hepatocytes (PHH). The EC50 of dehydrojuncusol is 1.35 µM when added continuously, 8.21 µM when added during inoculation, and 1.53 µM when added postinoculation, confirming the major effect of the molecule at the postinoculation step. The toxicity of the compound on Huh-7 cells is also tested in parallel at different time points (24 h, 48 h, and 72 h). The results shows that the CC50 of Dehydrojuncusol Is approximately 75.6 µM, which is much higher than the active dose, yielding a selective index of 56.
PSA	40.46000
Target	HCV; HCV Protease
XLogP3-AA	5.2