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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
Entecavir monohydrate
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| Category | Hepatitis B Virus (HBV) |
| CAS | 209216-23-9 |
| Description | Entecavir triphosphate is a highly potent inhibitor of wild-type HBV Pol and is 100- to 300-fold more potent than lamivudine triphosphate against 3TC-resistant HBV Pol. It competes with dGTP to be incorporated into viral DNA. |
Product Information
| Synonyms | Entecavir (monohydrate); UNII-5968Y6H45M; 5968Y6H45M |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate |
| Molecular Weight | 295.29 |
| Molecular Formula | C12H15N5O3.H2O |
| Canonical SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O |
| InChI | InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1 |
| InChIKey | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| Boiling Point | 661.4°C at 760 mmHg |
| Melting Point | 31°C |
| Purity | 98% |
| Density | 1.81 g/cm3 |
| Solubility | In Vitro: DMSO: ≥ 32 mg/mL (108.37 mM) H2O: 2.8 mg/mL (9.48 mM; Need ultrasonic and warming) |
| Appearance | White Powder |
| Application | Antiviral Agents |
| Storage | Store at -20°C |
| Complexity | 480 |
| Exact Mass | 295.12805404 |
| In Vitro | Entecavir monohydrate (BMS200475 monohydrate; SQ34676 monohydrate) has a EC50 of 3.75 nM against HBV. It is incorporated into the protein primer of HBV and subsequently inhibits the priming step of the reverse transcriptase. The antiviral activity of BMS-200475 is significantly less against the other RNA and DNA viruses. Entecavir monohydrate is more readily phosphorylated to its active metabolites than other deoxyguanosine analogs (penciclovir, ganciclovir, lobucavir, and aciclovir) or lamivudine. The intracellular half-life of entecavir is 15 h. |
| In Vivo | Daily oral treatment with Entecavir monohydrate at doses ranging from 0.02 to 0.5 mg/kg of body weight for 1 to 3 months effectively reduces the level of woodchuck hepatitis virus (WHV) viremia in chronically infected woodchucks. |
| PSA | 139.28000 |
| Target | EC50: 3.75 nM (anti-HBV, HepG2 cell) |
| Vapor Pressure | 2.15E-18mmHg at 25°C |
QC Data
Description of First Aid Measures
Eye contact
Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.
Skin contactRinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.
InhalationImmediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.
IngestionWash out mouth with water; Do NOT induce vomiting; call a physician.