Name: N-(Iodoacetamido)-Doxorubicin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212668082
Cas No:114390-30-6
常用名:N-(Iodoacetamido)-Doxorubicin
IUPAC:N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]-2-iodoacetamide
IUPAC:N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]-2-iodoacetamide
InChI key:SAGBOHNSGVDWII-MUTSDZRXSA-N

分子式:C29H30INO12
分子量:711.458
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:2.2685807
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)CI)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)CI)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

N-(Iodoacetamido)-Doxorubicin is an ADC linker employed in the synthesis of antibody-drug conjugates (ADCs)[1].

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