MedKoo Cat#: 145068 | Name: VR17-04

Description:

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

VR17-04 is a metabolite of Enisamium. VR17-04 prevents the incorporation of GTP and UTP during RNA synthesis. Docking and molecular dynamics simulations provide mechanistic insights into its action. These findings suggest VR17-04 as a potential antiviral strategy for managing COVID-19.

Chemical Structure

VR17-04
VR17-04
CAS#2417925-64-3

Theoretical Analysis

MedKoo Cat#: 145068

Name: VR17-04

CAS#: 2417925-64-3

Chemical Formula: C14H15N2O2+

Exact Mass: 243.1128

Molecular Weight: 243.29

Elemental Analysis: C, 69.12; H, 6.21; N, 11.51; O, 13.15

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.
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Related CAS #
No Data
Synonym
VR17-04; VR1704; VR17 04;
IUPAC/Chemical Name
4-(benzylcarbamoyl)-3-hydroxy-1-methylpyridin-1-ium
InChi Key
PSTFMUUIKOEIMY-UHFFFAOYSA-O
InChi Code
1S/C14H14N2O2/c1-16-8-7-12(13(17)10-16)14(18)15-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H-,15,17,18)/p+1
SMILES Code
C[N+]1=CC=C(C(=O)NCC2=CC=CC=C2)C(O)=C1
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 243.29 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: Elli S, Bojkova D, Bechtel M, Vial T, Boltz D, Muzzio M, Peng X, Sala F, Cosentino C, Goy A, Guerrini M, Müller L, Cinatl J, Margitich V, Te Velthuis AJW. Enisamium Inhibits SARS-CoV-2 RNA Synthesis. Biomedicines. 2021 Sep 17;9(9):1254. doi: 10.3390/biomedicines9091254. PMID: 34572438; PMCID: PMC8467925. 2: Te Velthuis AJW, Zubkova TG, Shaw M, Mehle A, Boltz D, Gmeinwieser N, Stammer H, Milde J, Müller L, Margitich V. Enisamium Reduces Influenza Virus Shedding and Improves Patient Recovery by Inhibiting Viral RNA Polymerase Activity. Antimicrob Agents Chemother. 2021 Mar 18;65(4):e02605-20. doi: 10.1128/AAC.02605-20. PMID: 33558285; PMCID: PMC8097484. 3: Holubovska O, Bojkova D, Elli S, Bechtel M, Boltz D, Muzzio M, Peng X, Sala F, Cosentino C, Mironenko A, Milde J, Lebed Y, Stammer H, Goy A, Guerrini M, Mueller L, Cinatl J, Margitich V, Te Velthuis AJW. Enisamium is an inhibitor of the SARS-CoV-2 RNA polymerase and shows improvement of recovery in COVID-19 patients in an interim analysis of a clinical trial. medRxiv [Preprint]. 2021 Jan 21:2021.01.05.21249237. doi: 10.1101/2021.01.05.21249237. Update in: Biomedicines. 2021 Sep 17;9(9):1254. doi: 10.3390/biomedicines9091254. PMID: 33469600; PMCID: PMC7814846. 4: Walker AP, Fan H, Keown JR, Margitich V, Grimes JM, Fodor E, Te Velthuis AJW. Enisamium is a small molecule inhibitor of the influenza A virus and SARS-CoV-2 RNA polymerases. bioRxiv [Preprint]. 2020 Jan 6:2020.04.21.053017. doi: 10.1101/2020.04.21.053017. PMID: 32511388; PMCID: PMC7263517.