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HBV-IN-7

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Category Hepatitis B Virus (HBV)
CAS 2724224-49-9
Description HBV-IN-7 is a potent inhibitor of HBV with an EC50 of 7 nM. (Extracted from patent WO2021213445A1, compound 5)
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Product Information

Synonyms (E)-3-(5-(5-((3-chloro-4-fluorophenyl)carbamoyl)-6-methyl-1,1-dioxido-1,2,6-thiadiazinan-3-yl)thiophen-2-yl)acrylic acid
IUPAC Name (E)-3-[5-[5-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]thiophen-2-yl]prop-2-enoic acid
Molecular Weight 473.93
Molecular Formula C18H17ClFN3O5S2
Canonical SMILES CN1C(CC(NS1(=O)=O)C2=CC=C(S2)C=CC(=O)O)C(=O)NC3=CC(=C(C=C3)F)Cl
InChI InChI=1S/C18H17ClFN3O5S2/c1-23-15(18(26)21-10-2-5-13(20)12(19)8-10)9-14(22-30(23,27)28)16-6-3-11(29-16)4-7-17(24)25/h2-8,14-15,22H,9H2,1H3,(H,21,26)(H,24,25)/b7-4+
InChIKey GKRHCKQVHBHPKJ-QPJJXVBHSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 793
Exact Mass 473.0282189
Target HBV
XLogP3-AA 2.3

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