Name: c-di-AMP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671708
Cas No:54447-84-6
常用名:c-di-AMP
别名:环二腺苷酸, Cyclic-di-AMP, Cyclic diadenylate
别名:环二腺苷酸, Cyclic-di-AMP, Cyclic diadenylate
IUPAC:(1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-3,12-dione
IUPAC:(1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-3,12-dione
InChI key:PDXMFTWFFKBFIN-XPWFQUROSA-N

分子式:C20H24N10O12P2
分子量:658.418
氢键供体数 (HBD):6
氢键受体数 (HBA):16
LogP:-7.961657
SMILES:[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
SMILES:[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12

c-di-AMP (Cyclic diadenylate) is a STING agonist. It binds to the transmembrane protein STING thereby activating the TBK3-IRF3 signaling pathway.

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