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HBV-IN-11

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Category Hepatitis B Virus (HBV)
CAS 2226178-41-0
Description HBV-IN-11 is a potent inhibitor of HBsAg secretion with an EC50 of 0.46 μM. (Extracted from patent WO2018085619A1, example 28)
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Product Information

Synonyms (S)-2-chloro-7-isopropyl-3-(3-methoxypropoxy)-11-oxo-6,7-dihydro-11H-benzo[f]pyrido[1,2-d][1,4]oxazepine-10-carboxylic acid
IUPAC Name (7S)-2-chloro-3-(3-methoxypropoxy)-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
Molecular Weight 421.87
Molecular Formula C21H24ClNO6
Canonical SMILES CC(C)C1COC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCCCOC
InChI InChI=1S/C21H24ClNO6/c1-12(2)17-11-29-19-9-20(28-6-4-5-27-3)15(22)7-13(19)16-8-18(24)14(21(25)26)10-23(16)17/h7-10,12,17H,4-6,11H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKey HVBMZIVDVKAMGA-QGZVFWFLSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 691
Exact Mass 421.1292152
Target HBV
XLogP3-AA 4.2

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