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3',5'-Di-O-benzyl Entecavir

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Category Hepatitis B Virus (HBV)
CAS 142217-81-0
Description A derivative of Entecavir. Entecavir is a reverse transcriptase inhibitor. It prevents the hepatitis B virus from multiplying and reduces the amount of virus in the body.
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Product Information

Synonyms 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-purin-6-one;
IUPAC Name 2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
Molecular Weight 457.54
Molecular Formula C26H27N5O3
Canonical SMILES C=C1C(CC(C1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N
InChI InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
InChIKey KROVOOOAPHSWCR-FKBYEOEOSA-N
Melting Point 197-200°C
Purity > 95%
Solubility In vitro:
10 mM in DMSO
Appearance White Solid
Storage 4°C, protect from light
* In solvent :
-80°C, 6 months
-20°C, 1 month (protect from light)
Target HBV

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