Cinobufotalin Chemical Properties

Melting point:

259-262°

alpha 

D20 +11°

Boiling point:

627.3±55.0 °C(Predicted)

Density 

1.34±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

DMF: 10 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 5 mg/ml; Ethanol: 5 mg/ml

pka

14.67±0.70(Predicted)

form 

White to off-white solid.

color 

White to off-white

InChIKey

KBKUJJFDSHBPPA-XYCOMLSLNA-N

SMILES

[C@]123O[C@@H]1[C@@H]([C@H](C1=COC(=O)C=C1)[C@@]2(C)CC[C@]1([H])[C@@]2(C)CC[C@H](O)C[C@@]2(O)CC[C@@]31[H])OC(=O)C |&1:0,2,3,4,12,16,18,22,25,29,r|

CAS DataBase Reference

1108-68-5

Safety Information

Hazard Codes 

T+

Risk Statements 

26/27/28

Safety Statements 

22-36/37/39-45

RIDADR 

UN 2811 6.1/PG 1

WGK Germany 

3

RTECS 

EI2991000

HazardClass 

6.1(a)

PackingGroup 

II

Toxicity

cat,LD50,intravenous,200ug/kg (0.2mg/kg),"Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.

MSDS

• Language:English Provider:14,15b-Epoxy-3b,5a,16b-trihydroxy-5b,20(22)-bufadienolide 16-acetate
• Language:English Provider:SigmaAldrich

Cinobufotalin Usage And Synthesis

Description

Cinobufacin is an indole-type total alkaloid extracted from the dried toad skin of Chinese toad, which has the functions of clearing away heat and detoxifying, reducing swelling and pain, promoting blood circulation and removing blood stasis, softening and dispelling knots.

Uses

Cinobufotalin is a cardiotonic steroids or bufadienolides, is extracted from the skin secretions of the giant toads. Cinobufotalin has been used as a cardiotonic, diuretic and a hemostatic agent, Cinobufotalin is also a potential anti-lung cancer agent[1].

Application

Cinobufacin can be used for a variety of middle and advanced tumors (lung cancer, breast cancer, cervical cancer, digestive system tumors such as primary liver cancer, gastric cancer, colon cancer, etc.), chronic hepatitis B, especially for chronic hepatitis B virus carriers. Especially prominent.

Side effects

For individual patients, if the dosage is too large or the interval between two administrations is less than 6 to 8 hours, chills and fever may occur about 30 minutes after administration; a small number of patients have local irritation or phlebitis after long-term intravenous infusion, which will slow down the infusion rate. Very few patients may also appear urticaria, dermatitis and so on.

in vivo

References

[1] Kai S, et al. Pre-clinical evaluation of cinobufotalin as a potential anti-lung cancer agent. Biochem Biophys Res Commun. 2014 Sep 26;452(3):768-74. DOI:10.1016/j.bbrc.2014.08.147
[2] Li C, Guo H, Wang C, et al. Network pharmacological mechanism of Cinobufotalin against glioma. Prog Brain Res. 2021;265:119-137. DOI:10.1016/bs.pbr.2021.06.001

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