sulforaphane的默克索引？Sulforaphane Structural Formula Vector Image Title: Sulforaphane CAS Registry Number: 142825-10-3; 4478-93-7 (unspecified stereo) CAS Name: (R)-1-Isothiocyanato-4-(methylsulfinyl)butane Additional Names: 4-methylsulfinylbutyl isothiocyanate Molecular Formula: C6H11NOS2 Molecular Weight: 177.29 Percent Composition: C 40.65%, H 6.25%, N 7.90%, O 9.02%, S 36.17% Literature References: Potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli. Prepn: H. Schmid, P. Karrer, Helv. Chim. Acta 31, 1497 (1948). Absolute configuration: K. Mislow et al., J. Am. Chem. Soc. 87, 665 (1965). Isoln from SAGA broccoli and enzyme inducing activities: Y. Zhang et al., Proc. Natl. Acad. Sci. USA 89, 2399 (1992). Asymmetric synthesis: J. K. Whitesell, M.-S. Wong, J. Org. Chem. 59, 597 (1994). In vivo antitumor activity: Y. Zhang et al., Proc. Natl. Acad. Sci. USA 91, 3147 (1994). Mechanism of action study: M. C. Myzak et al., Cancer Res. 64, 5767 (2004). Review of antioxidant activitiy: J. W. Fahey, P. Talalay, Food Chem. Toxicol. 37, 973-979 (1999). Properties: D22 -79.3 ±1° (c = 1.223 in chloroform). D25 -78.6° (c = 1.19 in chloroform). uv max (water): 238 nm (e 910 M-1cm-1); upon addition of 0.1M NaOH uv max: 226 nm (e 15300 M-1cm-1). Optical Rotation: D22 -79.3 ±1° (c = 1.223 in chloroform); D25 -78.6° (c = 1.19 in chloroform) Absorption maximum: uv max (water): 238 nm (e 910 M-1cm-1); uv max: 226 nm (e 15300 M-1cm-1) 查看更多
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