3-(allylsulphinyl)-L-alanine

中文名称:

3-(allylsulphinyl)-L-alanine

中文同义词:

L-(±)-蒜氨酸;(±)-L-蒜氨酸

英文名称:

3-(allylsulphinyl)-L-alanine

英文同义词:

3-(allylsulphinyl)-L-alanine;Einecs 241-773-6;L-Alanine, 3-(2-propenylsulfinyl)-;Alliin (Mixture of DiastereoMers);rac-Alliin;ACSO;(+/-)-L-ALLIIN, >=90% (HPLC);L-Cysteine, S-2-propen-1-yl-, S-oxide

CAS号:

17795-26-5

分子式:

C6H11NO3S

分子量:

177.22

EINECS号:

241-773-6

相关类别:

中药对照品;氨基酸;Amino Acids Derivatives, Pharmaceuticals, Intermediates Fine Chemicals, Sulfur Selenium Compounds

Mol文件:

17795-26-5.mol

沸点 

416.1±45.0 °C(Predicted)

密度 

1.354±0.06 g/cm3(Predicted)

储存条件 

2-8°C

酸度系数(pKa)

1.88±0.10(Predicted)

BRN 

1724805

生物活性

(±)-Alliin 是大蒜的主要活性成分。(±)-Alliin 被认为是 SARS-CoV-2 (Mpro) 的虚拟抑制剂。

体外研究

Molecular docking is used to assess the binding stability of various drugs with SARS-CoV-2 main protease (Mpro).(±)-Alliin is found to interact with SARS-CoV Mpro at Leu-167, Met-49 and Glu-166 with three H-bonds; for SARS-CoV-2 Mpro, the observed docking sites of (±)-Alliin are Cys-145, Met-49 and Glu-166 with three H-bonds.

危险品标志 

Xi

危险类别码 

36/37/38

安全说明 

26

WGK Germany 

3