| Identification | Back Directory | [Name]
Cinobufotalin | [CAS]
1108-68-5 | [Synonyms]
Nsc90326
Cinobufotlin
CINOBUFOTALIN
CINOBUFOTALIN(RG)
Cinobufotalin std.
cinobufotalin venom toad
16β-Acetoxy-14,15β-epoxy-3β,5-dihydroxy-5β-bufa-20,22-dienolide
5β,20(22)-Bufadienolide-14,15β-epoxy-3β,5α,16β-triol 16-acetate
3β,5β-Dihydroxy-16β-acetoxy-14,15β-epoxy-5β-bufa-20,22-dienolide
14,15β-Epoxy-3β,5α,16β-trihydroxy-5β,20(22)-bufadienolide 16-acetate
14,15b-Epoxy-3b,5a,16b-trihydroxy-5b,20(22)-bufadienolide 16-acetate
14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv.
16β-(Acetyloxy)-14,15β-epoxy-3β,5-dihydroxy-5β,14β-bufa-20,22-dienolide
14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-22-dienolid16-5-beta-bufa-2
5-b-Bufa-20,22-dienolide, 14,15-b-epoxy-3-b,5,16-b-trihydroxy, 16-acetate
5BETA,20[22]-BUFADIENOLIDE-14,15BETA-EPOXY-3BETA,5ALPHA,16BETA-TRIOL 16-ACETATE
20,22,5BETA-BUFADIENOLID-14BETA,15BETA-EPOXY-3BETA, 5BETA, 6BETA-TRIOL-16-ACETATE
14,15BETA-EPOXY-3BETA,5ALPHA,16BETA-TRIHYDROXY-5BETA,20[22]-BUFADIENOLIDE 16-ACETATE
5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5,16.beta.-trihydroxy-, 16-acetate
Bufa-20,22-dienolide, 16- (acetyloxy)-14,15-epoxy-3,5-dihydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-
5β,20(22)-Bufadienolide-14,15β-epoxy-3β,5α,16β-triol 16-acetate, 14,15β-Epoxy-3β,5α,16β-trihydroxy-5β,20(22)-bufadienolide 16-acetate | [Molecular Formula]
C26H34O7 | [MDL Number]
MFCD00055946 | [MOL File]
1108-68-5.mol | [Molecular Weight]
458.54 |
| Chemical Properties | Back Directory | [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 | [form ]
White to off-white solid. | [pka]
14.67±0.70(Predicted) | [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 Data | Back Directory | [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. |
| Hazard Information | Back Directory | [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]
Cinobufotalin (1-5 mg/kg; intraperitoneal injection; twice daily; for 1 weeks; male nude mice) treatment inhibits A549 lung cancer cell growth in vivo[1]. | Animal Model: | Male nude mice (4-6 weeks old, BALB/c) with A549 cells[1] | | Dosage: | 1 mg/kg or 5 mg/kg | | Administration: | Intraperitoneal injection; twice daily; for 1 weeks | | Result: | Inhibited A549 lung cancer cell growth 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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| Company Name: |
China Langchem Inc.
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0086-21-58956006 |
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www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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