6869-66-5
Chemical Structure
3-Oxo-cinobufagin
- CAS No.: 6869-66-5
- Formula:C26H32O6
- Molecular Weight:440.53
InChIKey: AOBHQOYFBDNLMA-BAEBVKMLSA-N
SMILES: C[C@]12[C@@]3([C@@]4([H])[C@]([C@@]5([C@](CC(CC5)=O)([H])CC4)C)([H])CC2)[C@]([C@@H]([C@@H]1C(C=C6)=COC6=O)OC(C)=O)([H])O3
Biological Activity: 3-Oxo-cinobufagin (compound 8) is a potential anticancer compound that can be isolated from the broth of M. spinosus by high-performance liquid chromatography. Compared to other isolated compounds, the hydroxyl group at the C-5 position of 3-Oxo-cinobufagin is further oxidized or isomerized, significantly reducing its cytotoxic activity against most cell lines (except HEL), while increasing its activity against the BEL cell line. The IC50 values of 3-Oxo-cinobufagin's cytotoxicity against cancer cells are: 71.3 μM (HepG2), 90.2 μM (SMMC-7221), 0.11 μM (BEL-7402), 72.5 μM (K562), 5.3 μM (HL-60), and 12 nM (HEL)[1].
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3-Oxo-cinobufagin | 3-Oxo-cinobufagin (compound 8) is a potential anticancer compound that can be isolated from the broth of M. spinosus by high-performance liquid chromatography. Compared to other isolated compounds, the hydroxyl group at the C-5 position of 3-Oxo-cinobufagin is further oxidized or isomerized, significantly reducing its cytotoxic activity against most cell lines (except HEL), while increasing its activity against the BEL cell line. The IC50 values of 3-Oxo-cinobufagin's cytotoxicity against cancer cells are: 71.3 μM (HepG2), 90.2 μM (SMMC-7221), 0.11 μM (BEL-7402), 72.5 μM (K562), 5.3 μM (HL-60), and 12 nM (HEL). | |||||||||||||||||||||
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