4-Methoxyglucobrassicin-d3 Sodium

CAS: 297730-29-1

Ref. TR-M262752

Produktinformation

• Name: 4-Methoxyglucobrassicin-d3 Sodium
• Synonyme: Sodium ((Z)-2-(4-(methoxy-d3)-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate
• Marke: TRC
• Beschreibung: Applications Isotope labelled 4-Methoxyglucobrassicin is a naturally occurring substance found in broccoli and was shown to inhibit viability of human bladder cancer cell and reduce tumor within xenografted mouse model.References Abbaoui, B., et al.: Molec. Nutr. Food. Res., 56, 1675 (2012); Maklini, M., et al.: J. Mass. Spec., 47, 1198 (2012); Zandalinas, S.I., et al.: J. Agri. Food. Chem., 60, 8648 (2012)

Chemische Eigenschaften

• Molekulargewicht: 481.512
• Formel: C₁₇H₁₈D₃N₂O₁₀S₂·Na
• Farbe/Form: Neat
• InChl: InChI=1S/C17H22N2O10S2.Na/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17;/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26);/q;+1/p-1/b19-12-;/t11-,14-,15+,16-,17+;/m1./s1/i1D3
• InChI Key: InChIKey=IIAGSABLXRZUSE-UNDTTZFTSA-N
• SMILES: [2H]C([2H])([2H])Oc1cccc2[nH]cc(C/C(=N/OS(=O)(=O)O)S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12