Hellebrin

Hellebrin is a cardiac glycoside that potently inhibits the Na+/K+-ATPase by binding to it and blocking its non-canonical function as a receptor for cardiac glycosides. Hellebrin has a higher affinity for the alpha1beta1 subunit of the Na+/K+-ATPase than the alpha2beta1 or alpha3beta1 complexes, in contrast to other cardiac glycosides. This affinity for the alpha1beta1 complex correlates with its cancer cell growth inhibition (GI50 = 6-58 nM in various human cancer cell lines). Hellebrin also induces caspase-dependent apoptosis in Jurkat T cells.Formal Name: 3beta-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5beta,14-dihydroxy-19-oxo-bufa-20,22-dienolide. CAS Number: 13289-18-4. Synonyms: NSC 93134. Molecular Formula: C36H52O15. Formula Weight: 724.8. Purity: >99%. Formulation: (Request formulation change), A solid. Solubility: Water: 4 mg/ml. SMILES: O=C(C=C1)OC=C1[C@H]2CC[C@]3(O)[C@]4([H])CC[C@]5(O)C[C@@H](O[C@@]6([H])[C@@H]([C@@H]([C@@]([C@H](C)O6)([H])O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O)O)CC[C@]5(C=O)[C@@]4([H])CC[C@]23C. InChi Code: InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22. InChi Key: DCSLTSSPIJWEJN-YRFFWODSSA-N.