(±)-Alliin
(±)-Alliin structure
|
Common Name | (±)-Alliin | ||
|---|---|---|---|---|
| CAS Number | 17795-26-5 | Molecular Weight | 177.221 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 416.1±45.0 °C at 760 mmHg | |
| Molecular Formula | C6H11NO3S | Melting Point | N/A | |
| MSDS | USA | Flash Point | 205.5±28.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of (±)-Alliin(±)-Alliin is the main active component of garlic. (±)-Alliin is a putative inhibitor of the main protease of SARS-CoV-2 (Mpro)[1]. |
| Name | (±)-L-Alliin |
|---|---|
| Synonym | More Synonyms |
| 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 | |
| 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 |
| 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 |
| 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 |
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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... |
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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... |
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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... |
| 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 |