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HBV-IN-13

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Category Hepatitis B Virus (HBV)
CAS 2724228-72-0
Description HBV-IN-13 is a potent inhibitor of hepatitis B surface antigen (HBsAg). (Extracted from patent WO2021204252A1, compound 1_B)
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Product Information

Synonyms (S)-7-isopropyl-4-(3-methoxypropoxy)-11-oxo-6,11-dihydro-7H-[1,3]dioxolo[4,5-h]pyrido[2,1-a]isoquinoline-10-carboxylic acid
IUPAC Name (7S)-4-(3-methoxypropoxy)-11-oxo-7-propan-2-yl-6,7-dihydro-[1,3]benzodioxolo[7,6-a]quinolizine-10-carboxylic acid
Molecular Weight 415.44
Molecular Formula C22H25NO7
Canonical SMILES CC(C)C1CC2=CC(=C3C(=C2C4=CC(=O)C(=CN14)C(=O)O)OCO3)OCCCOC
InChI InChI=1S/C22H25NO7/c1-12(2)15-7-13-8-18(28-6-4-5-27-3)20-21(30-11-29-20)19(13)16-9-17(24)14(22(25)26)10-23(15)16/h8-10,12,15H,4-7,11H2,1-3H3,(H,25,26)/t15-/m0/s1
InChIKey MGBFTHMYPGXZHP-HNNXBMFYSA-N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 746
Exact Mass 415.16310214
Target HBV
XLogP3-AA 3.6

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