Deacetylcinobufagin

Modify Date: 2025-08-25 19:10:54

Deacetylcinobufagin Structure
Deacetylcinobufagin structure
 Common Name Deacetylcinobufagin
CAS Number 4026-95-3 Molecular Weight 400.508
Density 1.3±0.1 g/cm3 Boiling Point 601.9±55.0 °C at 760 mmHg
Molecular Formula C24H32O5 Melting Point 278-280ºC
MSDS N/A Flash Point 208.1±25.0 °C

 Use of Deacetylcinobufagin


Desacetylcinobufagin is a natural compound used for microbial transformation.

 Names

Name Cinobufagin, deacetyl
Synonym More Synonyms

 Deacetylcinobufagin Biological Activity

Description Desacetylcinobufagin is a natural compound used for microbial transformation.
Related Catalog
References

[1]. Zhu ZT, et al. Novel microbial transformation of desacetylcinobufagin by Fusarium avenaceum AS 3.4594. J Asian Nat Prod Res. 2013;15(3):294-9.

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 601.9±55.0 °C at 760 mmHg
Melting Point 278-280ºC
Molecular Formula C24H32O5
Molecular Weight 400.508
Flash Point 208.1±25.0 °C
Exact Mass 400.224976
PSA 83.20000
LogP 2.00
Vapour Pressure 0.0±3.9 mmHg at 25°C
Index of Refraction 1.619
InChIKey IXZHDDUFQVXHIL-RWRAYJPQSA-N
SMILES CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)C3OC132
Storage condition -20°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EI2963500
CHEMICAL NAME :
5-beta-Bufa-20,22-dienolide, 3-beta,16-beta-dihydroxy-14,15-beta-epoxy-
CAS REGISTRY NUMBER :
4026-95-3
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C24-H32-O5
MOLECULAR WEIGHT :
400.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,1714,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
4415 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,111,1961

 DeacetylcinobufaginBioassay

View more

Name: Inhibitory activity against the primary liver carcinoma (PLC) cell line PLC/PRF/5
Source: ChEMBL
Target: N/A
External Id: CHEMBL763907
Name: Retention time in Sprague-Dawley rat liver microsomes treated with 100 uM cinobufagin...
Source: ChEMBL
Target: Liver microsome
External Id: CHEMBL3533434
Name: Inhibitory activity against colchicine resistant parent primary liver carcinoma (PLC)...
Source: ChEMBL
Target: N/A
External Id: CHEMBL763906
Name: Cytotoxicity against human HL60 cells after 72 hrs by MTT assay
Source: ChEMBL
Target: HL-60
External Id: CHEMBL943438
Name: Cytotoxicity against human KB cells after 72 hrs by MTT assay
Source: ChEMBL
Target: KB
External Id: CHEMBL943437
Name: Cytotoxicity against mouse MH60 cells after 72 hrs by MTT assay
Source: ChEMBL
Target: MH60
External Id: CHEMBL943439
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1

 Synonyms

Desacetylcinobufagin
(3β,5β,15β,16β)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide
Deacetylcinobufagin
16-deacetylcinobufagin
Deacetylcinobufagine
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