9-((1S,3R,4S)-4-Hydroxy-3-(((4-methoxyphenyl)diphenylmethoxy)methyl)-2-methylenecyclopentyl)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-1H-purin-6(9H)-one

Ref. TR-H946560

Product Information

• Name: 9-((1S,3R,4S)-4-Hydroxy-3-(((4-methoxyphenyl)diphenylmethoxy)methyl)-2-methylenecyclopentyl)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-1H-purin-6(9H)-one

Description

Applications 9-((1S,3R,4S)-4-Hydroxy-3-(((4-methoxyphenyl)diphenylmethoxy)methyl)-2-methylenecyclopentyl)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-1H-purin-6(9H)-one is a Monomethoxytrityl protected intermediate of 4’-epi-Entecavir (E558930), an epimeric impurity of the antiviral drug Entecavir (E558900).

• Brand: TRC

Chemical properties

• Molecular weight: 821.96
• Formula: C₅₂H₄₇N₅O₅
• Color/Form: Off-White Solid
• InChI: InChI=1S/C52H47N5O5/c1-35-44(33-62-52(39-20-12-6-13-21-39,40-22-14-7-15-23-40)41-26-30-43(61-3)31-27-41)46(58)32-45(35)57-34-53-47-48(57)54-50(55-49(47)59)56-51(36-16-8-4-9-17-36,37-18-10-5-11-19-37)38-24-28-42(60-2)29-25-38/h4-31,34,44-46,58H,1,32-33H2,2-3H3,(H2,54,55,56,59)/t44-,45-,46-/m0/s1
• InChI key: InChIKey=SMHWZPNTULVHAI-LCALOIESSA-N
• SMILES: C=C1[C@@H](n2cnc3c(=O)[nH]c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)C[C@H](O)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1