Ouabain (hydrate)

Ouabain is a cardiac glycoside that has been found in S. gratus and has diverse biological activities. It inhibits the Na+/K+-ATPase isoforms alpha1beta1 and alpha2beta1 and human-ether-a-go-go (hERG), also known as Kv11.1 (IC50s = 97, 90, and 15.2 nM, respectively). Ouabain reduces the proliferation of PC3 prostate cancer and U937 lymphoma cells (EC50s = 210 and 94 nM, respectively). It inhibits the cytopathic effect of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in infected Vero cells (IC50 = in vivo. Formulations containing ouabain have been used in the treatment of atrial fibrillation, atrial flutter, and heart failure.Formal Name: 3beta-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1beta,5beta,11alpha,14,19-pentahydroxy-card-20(22)-enolide, hydrate. CAS Number: 340169-01-9. Synonyms: g-Strophanthin. Molecular Formula: C29H44O12 . XH2O. Formula Weight: 584.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Methanol: Soluble. SMILES: O[C@H]1[C@@]2(CO)[C@@](CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]4(C)[C@]3(O)CC[C@@H]4C5=CC(OC5)=O)(O)C[C@@H](O[C@]6([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C1.O. InChi Code: InChI=1S/C29H44O12.H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31,/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3,1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-,/m0./s1. InChi Key: MVMUAXUYSJSGSG-LGEKDJQSSA-N. Origin: Synthetic.