-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
LB80317
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/441785-24-6.gif)
| Category | Hepatitis B Virus (HBV) |
| CAS | 441785-24-6 |
| Description | LB80317, an active metabolite of LB80380, inhibits HBV DNA synthesis with an EC50 of 0.5 μM, has antiviral effect and has the potential to treat chronic hepatitis B. |
Product Information
| Synonyms | [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid; Phosphonic acid, [[[1-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-; 9-[1-(phosphonomethoxycyclopropyl)methyl]guanine; ((1-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl)cyclopropoxy)methyl)phosphonic acid; ANA-317 |
| IUPAC Name | [1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid |
| Molecular Weight | 315.22 |
| Molecular Formula | C10H14N5O5P |
| Canonical SMILES | C1CC1(CN2C=NC3=C2N=C(NC3=O)N)OCP(=O)(O)O |
| InChI | InChI=1S/C10H14N5O5P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-10(1-2-10)20-5-21(17,18)19/h4H,1-3,5H2,(H2,17,18,19)(H3,11,13,14,16) |
| InChIKey | IMAMTECZRBMXGW-UHFFFAOYSA-N |
| Boiling Point | 725.0±70.0°C at 760 mmHg |
| Purity | ≥95% |
| Density | 2.1±0.1 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | Solid Powder |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years) |
| Complexity | 530 |
| Exact Mass | 315.07325556 |
| In Vitro | After phosphorylation to di- and triphosphate forms, LB80317 is incorporated into the viral DNA inside the nucleocapsid, which inhibits further DNA synthesis. In in vitro studies using cell line models, the drug concentrations causing 50% reduction in HBV DNA produced (EC50) is 0.5 μM for LB80317. |
| In Vivo | Forty percent of the amount of LB80331/LB80317 in the mouse liver is detected as the phosphorylated form. LB80380 is rapidly absorbed and converted to LB80331. LB80317 has a long half-life at steady-state (T1/2=8.3-9.9 hours), |
| Target | EC50: 0.5 μM (DNA synthesis of HBV) |
| XLogP3-AA | -2.7 |
