Name: HEMADO
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671879
Cas No:403842-38-6
常用名:HEMADO
IUPAC:(2R,3R,4S,5R)-2-[2-(hex-1-yn-1-yl)-6-(methylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC:(2R,3R,4S,5R)-2-[2-(hex-1-yn-1-yl)-6-(methylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI key:KOCIMZNSNPOGOP-IWCJZZDYSA-N

分子式:C17H23N5O4
分子量:361.402
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:1.0743314
SMILES:CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SMILES:CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

HEMADO is a potent and selective agonist of adenosine A3 receptor (Ki: 1.1 nM at the human A3 subtype).

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