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Crystal structure and anti herpes simplex virus activity of 2,2'-anhydro-1-beta-D-arabinofuranosylthymine.

Abstract：

:1-beta-D-Arabinofuranosylthymine (aThy; ara-T) is a potent selective anti herpes simplex virus drug. Its anhydro analogue, 2,2'-anhydro-aThy, was shown to be 9-fold less active and at least 3-fold less toxic than aThy. This compound was relatively stable at physiological pH and in strong acid but was rapidly hydrolyzed in base with a half-life of 18.3 min. The three-dimensional crystal structure of 2,2'-anhydro-aThy revealed a rigid structure with the arabinose ring in the unusual O1' endo, pucker, conformation. The trans-gauche conformation along the C4'-C5' bond permits only intermolecular hydrogen bonding of the 5'-hydroxy and O3'.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Harrison DH,Schinazi RF,Rubin BH

doi

10.1021/jm00354a025

subject

Has Abstract

pub_date

1982-12-01 00:00:00

pages

1507-10

issue

12

eissn

0022-2623

issn

1520-4804

journal_volume

25

pub_type

杂志文章

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