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HBV-IN-10

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Category Hepatitis B Virus (HBV)
CAS 2716907-16-1
Description HBV-IN-10 is an enantiomer of compound 6 (WO2021204258A1), which is a hepatitis B surface antigen (HBsAg) inhibitor (0.001 μM< EC50 ≤0.05 μM). (Extracted from patent WO2021204258A1, compound 6)
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Product Information

Synonyms (5R,8S)-10-(6-fluoro-4-(3-methoxypyrrolidin-1-yl)pyridin-2-yl)-2-(pyrimidin-2-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
IUPAC Name (1R,9S)-12-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)pyridin-2-yl]-5-pyrimidin-2-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Molecular Weight 433.48
Molecular Formula C23H24FN7O
Canonical SMILES COC1CCN(C1)C2=CC(=NC(=C2)F)N3C4CCC3C5=CN=C(N=C5C4)C6=NC=CC=N6
InChI InChI=1S/C23H24FN7O/c1-32-16-5-8-30(13-16)15-10-20(24)29-21(11-15)31-14-3-4-19(31)17-12-27-23(28-18(17)9-14)22-25-6-2-7-26-22/h2,6-7,10-12,14,16,19H,3-5,8-9,13H2,1H3/t14-,16?,19+/m0/s1
InChIKey QSALRAHTLYHGOT-BZELLKQSSA-N
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 652
Exact Mass 433.20263658
Target HBV
XLogP3-AA 2.3

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