Escin Ia

Escin Ia is a triterpenoid saponin that has been found in A. chinensis and has diverse biological activities. It inhibits HIV-1 protease activity in a cell-free assay (IC50 = 35 µM). Escin Ia (2.5, 5, and 10 µM) inhibits the invasion of, and epithelial-to-mesenchymal transition (EMT) in, MDA-MB-231 breast cancer cells. It reduces increases in vascular permeability induced by acetic acid in mice, or histamine in rats, when administered at doses of 100 and 200 mg/kg. Escin Ia (100 mg/kg) inhibits increases in serum glucose levels in oral glucose-loaded rats.Formal Name: (3beta,4beta,16alpha,21beta,22alpha)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic acid. CAS Number: 123748-68-5. Synonyms: Aescin A. Molecular Formula: C55H86O24. Formula Weight: 1131.3. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: slightly soluble. SMILES: OC[C@]12[C@](CC(C)([C@H]([C@@H]2OC(C)=O)OC(/C(C)=C/C)=O)C)([H])C3=CC[C@@]([C@@]4([C@@]([C@](C)([C@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)CO)([H])CC8)C)([H])[C@]8(C)[C@@]3(C[C@H]1O)C. InChi Code: InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1. InChi Key: AXNVHPCVMSNXNP-IVKVKCDBSA-N. Origin: Plant/Aesculus chinensis seeds.