ChemicalBook--->CAS DataBase List--->1333204-94-6

1333204-94-6

1333204-94-6 Structure

1333204-94-6 Structure
IdentificationBack Directory
[Name]

Entecavir Impurity
[CAS]

1333204-94-6
[Synonyms]

Entecavir Impurity
Entecavir Hydrate IMP
(1R,3S,4S)-ent-Entecavir
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, rel-
[Molecular Formula]

C12H15N5O3
[MDL Number]

MFCD11100789
[MOL File]

1333204-94-6.mol
[Molecular Weight]

277.28
Chemical PropertiesBack Directory
[Melting point ]

228-230 °C
[Boiling point ]

661.4±65.0 °C(Predicted)
[density ]

1.81±0.1 g/cm3(Predicted)
[pka]

14.22±0.60(Predicted)
Hazard InformationBack Directory
[Uses]

(1R,3S,4S)-Entecavir is an impurity of Entecavir (E558900).
[Definition]

ChEBI: 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 EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor and an antiviral drug. It is a member of 2-aminopurines, an oxopurine, a primary alcohol and a secondary alcohol.
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