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HBV-IN-9

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Category Hepatitis B Virus (HBV)
CAS 2170998-69-1
Description HBV-IN-9, a potent HBsAg (HBV Surface antigen) inhibitor (IC50 = 10 nM), is an HBV DNA production inhibitor with an IC50 of 0.15 nM in HepG2.2.15 cells. (Extracted from patent WO2018001952A1, example 20)
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Product Information

Synonyms Pyrido[4,3-d]pyrimidine, 6-[6-fluoro-4-(3-methoxy-1-pyrrolidinyl)-2-pyridinyl]-5,6,7,8-tetrahydro-5-methyl-2-(2-pyrimidinyl)-
IUPAC Name 6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)pyridin-2-yl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular Weight 421.47
Molecular Formula C22H24FN7O
Canonical SMILES CC1C2=CN=C(N=C2CCN1C3=NC(=CC(=C3)N4CCC(C4)OC)F)C5=NC=CC=N5
InChI InChI=1S/C22H24FN7O/c1-14-17-12-26-22(21-24-6-3-7-25-21)27-18(17)5-9-30(14)20-11-15(10-19(23)28-20)29-8-4-16(13-29)31-2/h3,6-7,10-12,14,16H,4-5,8-9,13H2,1-2H3
InChIKey XTZQFRYMZIPXRY-UHFFFAOYSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 594
Exact Mass 421.20263658
Target HBV
XLogP3-AA 2.1

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