(±)-Alliin

Names

[ Name ]:
(±)-Alliin

[Synonym ]:
3-[(S)-Allylsulfinyl]-L-alanine
alliin
3-(allylsulfinyl)-l-alanin
(±)-Alliin
L-Alanine, 3-[(S)-(1S)-2-propen-1-ylsulfinyl]-
ACSO,S-Allyl-L-cysteine sulfoxide,SAC
(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
alliin zwitterion
ACSO S-Allyl-L-cysteine sulfoxide SAC

Biological Activity

[Description]:

(±)-Alliin is the main active component of garlic. (±)-Alliin is a putative inhibitor of the main protease of SARS-CoV-2 (Mpro)[1].

[Related Catalog]:

Research Areas >> Infection

Signaling Pathways >> Anti-infection >> SARS-CoV

[In Vitro]

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[1].

[References]

[1]. Bijun Cheng, et al. Discovery of Alliin as a Putative Inhibitor of the Main Protease of SARS-CoV-2 by Molecular Docking. Biotechniques

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
416.1±45.0 °C at 760 mmHg

[ Molecular Formula ]:
C₆H₁₁NO₃S

[ Molecular Weight ]:
177.221

[ Flash Point ]:
205.5±28.7 °C

[ Exact Mass ]:
177.045959

[ PSA ]:
99.60000

[ LogP ]:
-0.48

[ Vapour Pressure ]:
0.0±2.1 mmHg at 25°C

[ Index of Refraction ]:
1.579

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Risk Phrases ]:
36/37/38

[ RIDADR ]:
NONH for all modes of transport

Articles

Analytical method for simultaneous determination of bulk and intramolecular (13) C-isotope compositions of acetic acid.

Rapid Commun. Mass Spectrom. 29 , 2337-40, (2015)

Headspace solid-phase microextraction (HS-SPME) combined with gas chromatography/pyrolysis-gas chromatography/combustion-isotope ratio mass spectrometry (GC/Py-GC/C-IRMS) was developed for the simulta...

Metabolism, excretion, and pharmacokinetics of S-allyl-L-cysteine in rats and dogs.

Drug Metab. Dispos. 43(5) , 749-55, (2015)

The metabolism, excretion, and pharmacokinetics of S-allyl-l-cysteine (SAC), an active key component of garlic supplements, were examined in rats and dogs. A single dose of SAC was administered orally...

Combination of aqueous two-phase extraction and cation-exchange chromatography: New strategies for separation and purification of alliin from garlic powder

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 957 , 60-7, (2014)

In this study, a two-step process combining aqueous two-phase extraction (ATPE) with chromatography was developed for extraction and purification of alliin from garlic powder. The partition coefficien...

Related Compounds

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.