MedKoo Cat#: 130193 | Name: LY-1

Description:

WARNING: This product is for research use only, not for human or veterinary use.

LY-1 is a dual inhibitor of both PLpro and Mpro for the treatment of SARS-CoV-2, specifically targeting the replication process of the virus. LY-1 contains a warhead, which serves to covalently bond with the catalytic cysteine residue of the enzymes. LY-1 is an antiviral that has demonstrated potential for future use as a COVID-19 treatment.

Chemical Structure

LY-1
LY-1
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130193

Name: LY-1

CAS#: N/A

Chemical Formula: C20H18N4O3S

Exact Mass: 394.1100

Molecular Weight: 394.45

Elemental Analysis: C, 60.90; H, 4.60; N, 14.20; O, 12.17; S, 8.13

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
LY-1; LY1; LY 1
IUPAC/Chemical Name
3-((2-(piperazin-1-yl)phenyl)amino)-5H-naphtho[1,8-cd]isothiazol-5-one 1,1-dioxide
InChi Key
WGBASJXNQFWBJU-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H18N4O3S/c25-17-12-15(20-19-13(17)4-3-7-18(19)28(26,27)23-20)22-14-5-1-2-6-16(14)24-10-8-21-9-11-24/h1-7,12,21-22H,8-11H2
SMILES Code
O=C1C=C(NC2=CC=CC=C2N3CCNCC3)C(C4=C1C=CC=C45)=NS5(=O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 394.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Yu W, Zhao Y, Ye H, Wu N, Liao Y, Chen N, Li Z, Wan N, Hao H, Yan H, Xiao Y, Lai M. Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2. J Med Chem. 2022 Dec 22;65(24):16252-16267. doi: 10.1021/acs.jmedchem.2c00954. Epub 2022 Dec 12. PMID: 36503248; PMCID: PMC9762420.