UAWJ9-36-3 | CAS# 2663864-31-9 | SARS-CoV-2 Protease inhibitor

MedKoo Cat#: 121136 | Name: UAWJ9-36-3

Description:

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

UAWJ9-36-3 is a SARS-CoV-2 Protease inhibitor (IC50 = 54 nM). UAWJ9-36-3 showed potent binding and enzymatic inhibition against the Mpro's from SARS-CoV-2, SARS-CoV, MERS-CoV, HCoV-OC43, HCoV-NL63, HCoV-229E, and HCoV-HKU1. UAWJ9-36-3 is a promising candidate to be further developed as a broad-spectrum coronavirus antiviral.

Chemical Structure

UAWJ9-36-3

CAS#2663864-31-9

Theoretical Analysis

MedKoo Cat#: 121136

Name: UAWJ9-36-3

CAS#: 2663864-31-9

Chemical Formula: C23H29N3O5

Exact Mass: 427.2107

Molecular Weight: 427.50

Elemental Analysis: C, 64.62; H, 6.84; N, 9.83; O, 18.71

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

UAWJ9-36-3; UAWJ9363 UAWJ9 36 3

IUPAC/Chemical Name

benzyl (1R,2S,5S)-6,6-dimethyl-2-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)carbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChi Key

YVCYGQVRUNWVOI-VMXHOPILSA-N

InChi Code

InChI=1S/C23H29N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,12,15-19H,8-11,13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1

SMILES Code

O=C(N1C[C@]([H])(C2(C)C)[C@@]2([H])[C@H]1C(N[C@@H](C[C@@H]3CCNC3=O)C([H])=O)=O)OCC4=CC=CC=C4

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 427.50 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.

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

Xia Z, Sacco M, Hu Y, Ma C, Meng X, Zhang F, Szeto T, Xiang Y, Chen Y, Wang J. Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. ACS Pharmacol Transl Sci. 2021 Jun 9;4(4):1408-1421. doi: 10.1021/acsptsci.1c00099. PMID: 34414360; PMCID: PMC8204911.