RA-0002034 | alphavirus nsP2 cysteine protease | CAS#2305572-22-7

MedKoo Cat#: 127767 | Name: RA-0002034

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Description:

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

RA-0002034 is a potent irreversible covalent inhibitor of the alphavirus nsP2 cysteine protease (IC50 = 60 nM) with broad-spectrum antiviral activity.

Chemical Structure

RA-0002034

CAS#2305572-22-7

Theoretical Analysis

MedKoo Cat#: 127767

Name: RA-0002034

CAS#: 2305572-22-7

Chemical Formula: C16H19N3O4S

Exact Mass: 349.1096

Molecular Weight: 349.41

Elemental Analysis: C, 55.00; H, 5.48; N, 12.03; O, 18.32; S, 9.18

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 550.00	2 Weeks

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Related CAS #

No Data

Synonym

RA-0002034; RA0002034; RA 0002034

IUPAC/Chemical Name

(E)-3-(2-ethoxyphenyl)-N-(3-(methylsulfonyl)allyl)-1H-pyrazole-5-carboxamide

InChi Key

KNZUNPRTZJZIHO-UXBLZVDNSA-N

InChi Code

InChI=1S/C16H19N3O4S/c1-3-23-15-8-5-4-7-12(15)13-11-14(19-18-13)16(20)17-9-6-10-24(2,21)22/h4-8,10-11H,3,9H2,1-2H3,(H,17,20)(H,18,19)/b10-6+

SMILES Code

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)NCC=CS(=O)(=O)C

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 349.41 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

1: Merten EM, Sears JD, Leisner TM, Hardy PB, Ghoshal A, Hossain MA, Asressu KH, Brown PJ, Stashko MA, Herring L, Mordant AL, Webb TS, Mills CA, Barker NK, Streblow ZJ, Perveen S, Arrowsmith C, Arnold JJ, Cameron CE, Streblow DN, Moorman NJ, Heise M, Willson TM, Popov K, Pearce KH. Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach. bioRxiv [Preprint]. 2024 May 23:2024.03.22.586341. doi: 10.1101/2024.03.22.586341. PMID: 38562906; PMCID: PMC10983941. 2: Ghoshal A, Magalhães ÁF, Asressu KH, Hossain MA, Todd MH, Willson TM. Identification of Dihydropyrazolo[1,5-a]pyrazin-4(5H)-ones as Cyclic Products of β-Amidomethyl Vinyl Sulfone Alphavirus Cysteine Protease Inhibitors. Pharmaceuticals (Basel). 2024 Jun 26;17(7):836. doi: 10.3390/ph17070836. PMID: 39065687; PMCID: PMC11279629. 3: Ghoshal A, Asressu KH, Hossain MA, Brown PJ, Merten EM, Sears JD, Perveen S, Pearce KH, Popov KI, Moorman NJ, Heise MT, Willson TM. Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Anti-alphavirus Activity. bioRxiv [Preprint]. 2024 Jun 13:2024.06.12.598722. doi: 10.1101/2024.06.12.598722. PMID: 38915519; PMCID: PMC11195264. 4: Ghoshal A, Asressu KH, Hossain MA, Brown PJ, Nandakumar M, Vala A, Merten EM, Sears JD, Law I, Burdick JE, Morales NL, Perveen S, Pearce KH, Popov KI, Moorman NJ, Heise MT, Willson TM. Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity. J Med Chem. 2024 Sep 5. doi: 10.1021/acs.jmedchem.4c01346. Epub ahead of print. PMID: 39235978.