Name: SG3199
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718259
Cas No:1595275-71-0
常用名:SG3199
别名:SG-3199, SG 3199
IUPAC:(7S)-13-methoxy-12-[(5-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}pentyl)oxy]-5-methyl-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-2-one
IUPAC:(7S)-13-methoxy-12-[(5-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}pentyl)oxy]-5-methyl-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-2-one
InChI key:YMTZZJOPSATRTO-GOTSBHOMSA-N

分子式:C33H36N4O6
分子量:584.673
氢键供体数 (HBD):0
氢键受体数 (HBA):8
LogP:3.5241053
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc3cc4N=C[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)cc1N=C2 |c:4,26,32,48|
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc3cc4N=C[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)cc1N=C2 |c:4,26,32,48|

SG3199 is a PBD dimer which binds in the minor groove of DNA, and forms covalent DNA interstrand cross-links in naked linear plasmid DNA. SG3199 is potently cytotoxic against a panel of human solid tumour and haematological cancer cell lines.

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