Entecavir (hydrate)

Entecavir is an antiviral nucleoside analog of 2'-deoxyguanosine (Cay-9002864) and inhibitor of hepatitis B virus (HBV) reverse transcriptase (IC50 = 0.5 nM). It undergoes phosphorylation by cellular kinases to its active form, entecavir triphosphate. Entecavir reduces virion DNA in the culture supernatant of HepG2 2.2.15 cells infected with hepatitis B virus (HBV, EC50 = 3.75 nM). It reduces serum and hepatic levels of viral DNA in a duckling model of HBV infection when administered at a dose of 1 mg/kg. Formulations containing entecavir have been used in the treatment of chronic HBV infection.Formal Name: 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one, monohydrate. CAS Number: 209216-23-9. Synonyms: BMS 200475, SQ 34,676. Molecular Formula: C12H15N5O3 . H2O. Formula Weight: 295.3. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 14 mg/ml, DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml, DMSO: 12 mg/ml, Ethanol: 0.1 mg/ml. lambdamax: 256 nm. SMILES: NC(NC1=C2N=CN1[C@H]3C[C@H](O)[C@@H](CO)C3=C)=NC2=O.O. InChi Code: 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. InChi Key: YXPVEXCTPGULBZ-WQYNNSOESA-N.