Name: ADU-S100 enantiomer ammonium salt
Rating: 5 (10 reviews)

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HIT ID:HIT212686813
Cas No:
常用名:ADU-S100 enantiomer ammonium salt
常用名:ADU-S100 enantiomer ammonium salt
别名:ML RR-S2 CDA enantiomer ammonium salt, MIW815 enantiomer ammonium salt
别名:ML RR-S2 CDA enantiomer ammonium salt, MIW815 enantiomer ammonium salt
IUPAC:(1R,3S,6R,8R,9R,10S,12R,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-9,18-dihydroxy-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione diamine
IUPAC:(1R,3S,6R,8R,9R,10S,12R,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-9,18-dihydroxy-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione diamine
InChI key:VZYXAGGQHVUTHM-WTBSVHDESA-N

分子式:C20H30N12O10P2S2
分子量:724.6
氢键供体数 (HBD):6
氢键受体数 (HBA):14
LogP:-7.3723125
SMILES:N.N.Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc12
SMILES:N.N.Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc12

ADU-S100 (MIW815) enantiomer ammonium salt is the less active enantiomer of ADU-S100, an activator of the stimulator of interferon genes (STING).

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