Name: sulfo-DGN462 sodium
Rating: 5 (10 reviews)

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HIT ID:HIT218886894
Cas No:
常用名:sulfo-DGN462 sodium
别名:sulfo-DGN462 sodium
IUPAC:sodium (11S)-5-methoxy-6-{[3-({[(11S)-5-methoxy-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13,15,17-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13,15,17-hexaene-10-sulfonate
IUPAC:sodium (11S)-5-methoxy-6-{[3-({[(11S)-5-methoxy-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13,15,17-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13,15,17-hexaene-10-sulfonate
InChI key:RNHTWDMUNIEDKX-XSTPADGUSA-M

分子式:C53H60N5NaO12S2
分子量:1046.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5NC([C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)S([O-])(=O)=O)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2
SMILES:[Na+].[H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5NC([C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)S([O-])(=O)=O)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2

Sulfo-DGN462 sodium undergoes degradation to DGN462 when subjected to culture medium and plasma. DGN462, a highly effective DNA-alkylating agent, exhibits anti-tumor properties that are particularly active against acute myeloid leukemia (AML).

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