Alliin(±S)


Catalog No. Size PriceQuantity
M32602-C Contact sales@xcessbio.com for quotation $100Unavailable

Description

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

Product information

CAS Number: 17795-26-5

Molecular Weight: 177.22

Formula: C6H11NO3S

Chemical Name: (2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid

Smiles: C=CCS(=O)C[C@H](N)C(O)=O

InChiKey: XUHLIQGRKRUKPH-ITZCMCNPSA-N

InChi: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

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.

Products are for research use only. Not for human use.

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