Name: N,N-Dimethyl-idarubicin-trisaccharide
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT218887123
Cas No:3033865-28-7
常用名:N,N-Dimethyl-idarubicin-trisaccharide
常用名:N,N-Dimethyl-idarubicin-trisaccharide
IUPAC:(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
IUPAC:(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
InChI key:IKSFXTURSYHHBK-RFGUSUBNSA-N

分子式:C40H49NO14
分子量:767.825
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1CCC(=O)[C@H](C)O1)O[C@@H]1[C@H](C)O[C@H](C[C@@H]1N(C)C)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
SMILES:C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1CCC(=O)[C@H](C)O1)O[C@@H]1[C@H](C)O[C@H](C[C@@H]1N(C)C)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O

N,N-Dimethyl-idarubicin-trisaccharide (compound 26) 展现出对ABCG2和ABCB1过表达细胞的高效细胞毒性作用.其IC50分别达到19 nM和32 nM,显示了其在抑制这些细胞方面的潜力.

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