MCC-Modified Daunorubicinol | CAS 721945-30-8 | AnyMole

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HIT214314817

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HIT214314817

HIT ID:HIT214314817
Cas No:721945-30-8
常用名:MCC-Modified Daunorubicinol
IUPAC:N'-{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}-4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
IUPAC:N'-{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}-4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
InChI key:OAXJSGUKYZPSNE-SAJDXUNTSA-N

分子式:C39H44N4O13
分子量:776.796
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(CO)=NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 |w:38.43,c:55|
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(CO)=NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 |w:38.43,c:55|

Daunorubicinol, a potent antitumor drug-linker conjugate for antibody-drug conjugate (ADC) applications, utilizes Aur0101 (DNA Topoisomerase II inhibitor) connected through the ADC linker[1].

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