Name: 4'-Ethynyl-2'-deoxyadenosine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666792
Cas No:306305-07-7
常用名:4'-Ethynyl-2'-deoxyadenosine
IUPAC:(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
IUPAC:(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
InChI key:HMIGVKANVVLEOA-JOAULVNJSA-N

分子式:C12H13N5O3
分子量:275.268
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:-1.0384741
SMILES:Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C
SMILES:Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C

4'-Ethynyl-2'-deoxyadenosine (4'-E-dA) is a nucleoside reverse transcriptase (RT) inhibitor. It is potent against drug-resistant HIV variants (EC50: 98 nM in MT-4 cells for anti-HIV-1 activity).

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