ChemicalBook--->CAS DataBase List--->39844-86-5

39844-86-5

39844-86-5 Structure

39844-86-5 Structure
IdentificationBack Directory
[Name]

19-Hydroxybufalin
[CAS]

39844-86-5
[Synonyms]

19-Hydroxybufalin
Bufa-20,22-dienolide, 3,14,19-trihydroxy-, (3β,5β)-
[Molecular Formula]

C24H34O5
[MDL Number]

MFCD30834602
[MOL File]

39844-86-5.mol
[Molecular Weight]

402.52
Chemical PropertiesBack Directory
[Boiling point ]

601.7±55.0 °C(Predicted)
[density ]

1.283±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

14.92±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

AXTYMYOHGWVSQN-UIJVFFKONA-N
[SMILES]

C([C@]12CC[C@H](O)C[C@@]1([H])CC[C@@]1([H])[C@]3(CC[C@H](C4=COC(=O)C=C4)[C@@]3(C)CC[C@]21[H])O)O |&1:1,4,7,11,13,16,24,28,r|
Hazard InformationBack Directory
[Uses]

19-Hydroxybufalin is a bufadienolide, inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 cells[1].
[References]

[1] Chen L, et al. Arenobufagin inhibits prostate cancer epithelial-mesenchymal transition and metastasis by down-regulating β-catenin. Pharmacol Res. 2017 Sep;123:130-142. DOI:10.1016/j.phrs.2017.07.009
Spectrum DetailBack Directory
[Spectrum Detail]

19-Hydroxybufalin(39844-86-5)1HNMR
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