Name: DGN462
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667069
Cas No:1394079-41-4
常用名:DGN462
IUPAC:(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(18),14,16-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,9,13(18),14,16-heptaen-2-one
IUPAC:(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(18),14,16-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,9,13(18),14,16-heptaen-2-one
InChI key:DOKWDOLZCMETIJ-ZAQUEYBZSA-N

分子式:C53H59N5O9S
分子量:942.14
氢键供体数 (HBD):2
氢键受体数 (HBA):12
LogP:7.5320225
SMILES:[H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5N=C[C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2 |c:30|
SMILES:[H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5N=C[C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2 |c:30|

DGN462 is an effective DNA alkylating agent with anti-tumor activity, as in acute myeloid leukemia (AML). DGN462 can be used as a cytotoxic component of antibody-drug conjugates (ADCs).

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