Phenethyl glucosinolate potassium salt, Cytochrome P450 inhibitor

Key facts

CAS number

18425-76-8

Purity

>97%

Form

Solid

form

Molecular weight

461.55 g/mol

Molecular formula

C₁₅H₂₀NO₉S₂K

Nature

Synthetic

Solubility

Soluble in water

Biological description

Cytochrome P450 inhibitor. Phenethyl isothiocyanate (ab142583) precursor. Glucosinolate potassium salt of gluconasturtiin. Decreases CYP1A1, CYP2B1/2, CYP3A1/2, CYP1A2 and CYP2E1 levels. Shows chemopreventive effects in vivo. Orally active.

Isomeric smiles

[K+].[O-]S(=O)(=O)OC(=N\S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\CCC2CCCCC2

InChi

InChI=1S/C15H21NO9S2.K/c17-8-10-12(18)13(19)14(20)15(24-10)26-16-11(25-27(21,22)23)7-6-9-4-2-1-3-5-9;/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23);/q;+1/p-1/b16-11+;/t10-,12-,13+,14-,15+;/m1./s1

InChiKey

KNQJXSDRCFVICE-SWKZEUNZSA-M

IUPAC Name

[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate potassium salt