Gamabufotalin
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Gamabufotalin
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CAS No:
465-11-2
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Formula:
C24H34O5
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Chemical Name:
Gamabufotalin
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Synonyms:
Bufa-20,22-dienolide,3,11,14-trihydroxy-,(3β,5β,11α)-;Gamabufotalin;5β-Bufa-20,22-dienolide,3β,11α,14-trihydroxy-;(3β,5β,11α)-3,11,14-Trihydroxybufa-20,22-dienolide;Gamabufagin;Gamabufogenin;Gammabufotalin;NSC 90384
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CAS No:
Description
Gamabufotalin (Gamabufagin), a major bufadienolide of Chansu, has been used for cancer therapy due to its desirable metabolic stability and less adverse effect.IC50 value:Target: in vitro: Gamabufotalin (CS-6) strongly suppressed COX-2 expression by inhibiting the phosphorylation of IKKβ via targeting the ATP-binding site, thereby abrogating NF-κB binding and p300 recruitment to COX-2 promoter. In addition, CS-6 induced apoptosis by activating the cytochrome c and caspase-dependent apopt
Gamabufogenin is a steroid lactone. It derives from a bufanolide.
Characteristics
87
1.99
1.3±0.1 g/cm3
254 °C
595.8±50.0 °C at 760 mmHg
203.4±23.6 °C
1.612
1.12E-16mmHg at 25°C
Computed Properties
Molecular Weight:402.5
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:402.24062418
Monoisotopic Mass:402.24062418
Topological Polar Surface Area:87
Heavy Atom Count:29
Complexity:773
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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