1-Isothiocyanato-3-(Methylsulfinyl)Propane 3-甲基亚磺酰丙基异硫氰酸酯
CAS 505-44-2 MFCD01076593
化学结构图
SMILES: CS(=O)CCCN=C=S
化学属性
| Mol. Formula | C5 H9 N O S2 |
|---|---|
| Mol. Weight | 163.26 |
别名和识别编码
| Chemical Name | 1-Isothiocyanato-3-(Methylsulfinyl)Propane |
|---|---|
| Chemical Name Translation | 3-甲基亚磺酰丙基异硫氰酸酯 |
| Wiswesser Line Notation | SCN3SO&1 |
| Synonym | 1-Isothiocyanato-3-(methylsulfinyl)propane 1-isothiocyanato-3-(methylsulfinyl)propane 1-isothiocyanato-3-(methylsulphinyl)propane 3-Methylsulphinylpropylisothiocyanate IMSP Iberin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| CAS Number | 505-44-2 |
| InChIKey | LELAOEBVZLPXAZ-UHFFFAOYSA-N |
| PubChem Substance ID | 10455 |
| InChI | InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3 |
| Canonical SMILES | CS(=O)CCCN=C=S |
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相关文献及参考
- [2]. Jadhav U, et al. Iberin induces cell cycle arrest and apoptosis in human neuroblastoma cells.
- [3]. Jadhav U, et al. Dietary isothiocyanate iberin inhibits growth and induces apoptosis in human glioblastoma cells. J Pharmacol Sci. 2007 Feb;103(2):247-51.
- [4]. Jakobsen TH, et al. Food as a source for quorum sensing inhibitors: iberin from horseradish revealed as a quorumsensing inhibitor of Pseudomonas aeruginosa. Appl Environ Microbiol. 2012 Apr;78(7):2410-21.
- [5]. Munday R, et al. Induction of phase II detoxification enzymes in rats by plant-derived isothiocyanates: comparison of allyl isothiocyanate with sulforaphane and related compounds. J Agric Food Chem. 2004 Apr 7;52(7):1867-71.
- [1]. Jakubikova J, et al. Isothiocyan
- [1]. Jakubikova J, et al. Isothiocyanates induce cell cycle arrest, apoptosis and mitochondrial potential depolarization in HL-60 and multidrug-resistant cell lines. Anticancer Res. 2005 Sep-Oct;25(5):3375-86.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 90 mg/kg TOXIC EFFECTS : Behavioral - coma REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE : 100 mg/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
