Products 1333204-94-6
CAS 1333204-94-6 appears in our catalog under these names: (1R, 3S, 4S)-Entecavir (Impurity D), (1R,3S,4S)-Entecavir. Offered by: Chemat Brand, Biosynth. Available pack sizes: on request, 1mg.
Entecavir (anhydrous) is guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. It is used for the treatment of chronic hepatitis B. It has a role as an antiviral drug and an EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor. It is a primary alcohol, a member of 2-aminopurines, an oxopurine and a secondary alcohol.
Source: ChEBI
| Molecular formula | C12H15N5O3 |
|---|---|
| Molecular weight | 277.28 g/mol |
| IUPAC name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one |
| InChIKey | QDGZDCVAUDNJFG-FXQIFTODSA-N |
| SMILES | C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N |
Computed by PubChem (NCBI)