[CAS NO. 17795-26-5] (±)-Alliin
PRODUCTS SPECIFICATIONS [17795-26-5]
DESCRIPTION [17795-26-5]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 177.22 |
| Molecular Formula | C6H11NO3S |
| SMILES | C=CCS(C[C@@H](C(O)=O)N)=O |
2 Publications Citing Use of MCE
Summary
(±)-Alliin is the main active component of garlic. (±)-Alliin is a putative inhibitor of the main protease of SARS-CoV-2 (M pro ) [1] .
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]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
H 2 O : 125 mg/mL ( 705.34 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 5.6427 mL | 28.2135 mL | 56.4270 mL |
| 5 mM | 1.1285 mL | 5.6427 mL | 11.2854 mL |
| 10 mM | 0.5643 mL | 2.8214 mL | 5.6427 mL |
Synonyms
