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HBV-IN-8

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Category Hepatitis B Virus (HBV)
CAS 2724224-57-9
Description HBV-IN-8 is a potent inhibitor of HBV with an EC50 of 287.9 nM. (Extracted from patent WO2021213445A1, compound 13)
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Product Information

Synonyms 4-Piperidineacetic acid, 1-[5-[5-[[(3-chloro-4-fluorophenyl)amino]carbonyl]tetrahydro-6-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]-2-thiazolyl]-
IUPAC Name 2-[1-[5-[5-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid
Molecular Weight 546.04
Molecular Formula C21H25ClFN5O5S2
Canonical SMILES CN1C(CC(NS1(=O)=O)C2=CN=C(S2)N3CCC(CC3)CC(=O)O)C(=O)NC4=CC(=C(C=C4)F)Cl
InChI InChI=1S/C21H25ClFN5O5S2/c1-27-17(20(31)25-13-2-3-15(23)14(22)9-13)10-16(26-35(27,32)33)18-11-24-21(34-18)28-6-4-12(5-7-28)8-19(29)30/h2-3,9,11-12,16-17,26H,4-8,10H2,1H3,(H,25,31)(H,29,30)
InChIKey KFPIFAJKHLBVGQ-UHFFFAOYSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 888
Exact Mass 545.0969671
Target HBV
XLogP3-AA 2.3

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