4099-30-3
Chemical Structure
Desacetylcinobufotalin
Synonym(s): Deacetylcinobufotalin
- CAS No.: 4099-30-3
- Formula:C24H32O6
- Molecular Weight:416.51
IUPAC Name: 5-((1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-2,5a,7-trihydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one
InChIKey: FRYICJTUIXEEGK-NNWVIVGYSA-N
SMILES: C[C@]([C@@H](C(C=C1)=COC1=O)[C@H]2O)(CC[C@@]3([H])[C@@]4([H])CC[C@@]5(O)[C@@]3(CC[C@H](O)C5)C)[C@@]64[C@@H]2O6
Biological Activity:
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Desacetylcinobufotalin | 99.41% | Desacetylcinobufotalin is an active component isolated from Venenum Bufonis, which exhibits significant cytotoxicity against human hepatocellular carcinoma HepG2 cells (IC50 = 0.0279 µmol/mL). Desacetylcinobufotalin upregulates Bax protein expression, downregulates Bcl-2 protein expression, and induces apoptosis via the mitochondrial pathway. Desacetylcinobufotalin inhibits cancer cell survival, and shows lower cytotoxicity compared to its parent compound Cinobufagin (HY-N0421). Desacetylcinobufotalin can be used in hepatocellular carcinoma-related research. |
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Similarity Score 0.83
HY-N0881Desacetylcinobufagin -
Similarity Score 0.82
HY-N0880Cinobufotalin -
Similarity Score 0.79
HY-N6574Marinobufogenin -
Similarity Score 0.73
HY-N797219-Oxocinobufotalin -
Similarity Score 0.72
HY-N99815β-Hydroxybufotalin -
Similarity Score 0.72
HY-N0885Telocinobufagin -
Similarity Score 0.70
HY-N0421Cinobufagin -
Similarity Score 0.70
HY-N130793-Epicinobufagin -
Similarity Score 0.68
HY-N7020Cinobufaginol -
Explore the MedChemAI to find more analogs
References
- [1]. Xu C, et al The Effect and Mechanism of Apoptosis Induced by Desacetylcinobufotalin (DEBF) in Human Hepatocellular Carcinoma HepG2 Cells. Appl Mech Mater. 2013 Sep;395-396:587-590.
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[2]. Wang RF, et al. Intestinal bacterial transformation – a nonnegligible part of Chinese medicine research. J Asian Nat Prod Res. 2013 Apr 24;15(5):532-549.
