Aldoxorubicin | INNO-206 | DOXO-EMCH | CAS 1361644-26-9 | AnyMole

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HIT212671920

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HIT212671920

HIT ID:HIT212671920
Cas No:1361644-26-9
常用名:Aldoxorubicin
别名:INNO-206, DOXO-EMCH
IUPAC:N'-[(1E)-1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
IUPAC:N'-[(1E)-1-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
InChI key:OBMJQRLIQQTJLR-USGQOSEYSA-N

分子式:C37H42N4O13
分子量:750.758
氢键供体数 (HBD):7
氢键受体数 (HBA):15
LogP:0.706695
SMILES:[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O |c:56|
SMILES:[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(\CO)=N\NC(=O)CCCCCN1C(=O)C=CC1=O |c:56|

Aldoxorubicin has effective antitumor activities in various cancer cell lines and in murine tumor models. Aldoxorubicin is an albumin-binding prodrug of Doxorubicin (DNA topoisomerase II inhibitors).

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