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Verification code

HBV-IN-12

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Category Hepatitis B Virus (HBV)
CAS 2724229-06-3
Description HBV-IN-12 is a potent inhibitor of hepatitis B surface antigen (HBsAg) (0.001 μM< EC50 ≤0.05 μM). It has anti-HBV DNA activity (0.001 μM
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Product Information

Synonyms (R)-8-(tert-butyl)-4-(3-methoxypropoxy)-12-oxo-7,8-dihydro-12H-[1,3]dioxolo[4',5':5,6]benzo[1,2-f]pyrido[1,2-d][1,4]oxazepine-11-carboxylic acid
IUPAC Name (8R)-8-tert-butyl-13-(3-methoxypropoxy)-4-oxo-10,15,17-trioxa-7-azatetracyclo[9.7.0.02,7.014,18]octadeca-1(18),2,5,11,13-pentaene-5-carboxylic acid
Molecular Weight 445.46
Molecular Formula C23H27NO8
Canonical SMILES CC(C)(C)C1COC2=CC(=C3C(=C2C4=CC(=O)C(=CN14)C(=O)O)OCO3)OCCCOC
InChI InChI=1S/C23H27NO8/c1-23(2,3)18-11-30-16-9-17(29-7-5-6-28-4)20-21(32-12-31-20)19(16)14-8-15(25)13(22(26)27)10-24(14)18/h8-10,18H,5-7,11-12H2,1-4H3,(H,26,27)/t18-/m0/s1
InChIKey FEIMFIOFYIDTOX-SFHVURJKSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 800
Exact Mass 445.17366682
Target HBV
XLogP3-AA 3.7

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