17795-26-5
17795-26-5 structure
- Name: (±)-Alliin
- Chemical Name: (±)-L-Alliin
- CAS Number: 17795-26-5
- Molecular Formula: C6H11NO3S
- Molecular Weight: 177.221
- Catalog: Signaling Pathways Anti-infection SARS-CoV
- Create Date: 2018-07-29 11:31:14
- Modify Date: 2024-01-04 18:26:06
-
(±)-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 |
|---|---|
| Synonyms |
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 |
| 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 |