4-Methoxyglucobrassicin-d3 Sodium
CAS:
Ref. TR-M262752
Product Information
Name:4-Methoxyglucobrassicin-d3 Sodium
Controlled Product
Synonyms:
- 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
Brand:TRC
Description: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);
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Chemical properties
Molecular weight:481.512
Formula:C17H18D3N2O10S2·Na
Color/Form:Neat
InChI: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