MedKoo Cat#: 128224 | Name: ATV2301

Description:

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

ATV2301 is a Potent Cap-Dependent Endonuclease Inhibitor for Influenza Treatment. ATV2301 exhibited an excellent anti-influenza activity (EC50, H1N1 = 1.88 nM, H3N2 = 4.77 nM), a higher safety index (SI, H1N1 = 18218, H3N2 = 7180), and a remarkably improved oral bioavailability (F = 71.60%). The prodrug ATV2301A demonstrated strong therapeutic efficacy and protection in H1N1-infected BALB/c mice, with low toxicity and broad tissue distribution. ATV2301 also exhibited high stability in both human and mouse liver microsomes. Mechanistic studies indicated that ATV2301’s anti-influenza activity was due to its effects on polymerase acid protein (PA), nuclear protein (NP), and RNA-dependent RNA polymerase (RdRp).

Chemical Structure

ATV2301
ATV2301
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128224

Name: ATV2301

CAS#: N/A

Chemical Formula: C21H17F2N3O4S

Exact Mass: 445.0908

Molecular Weight: 445.44

Elemental Analysis: C, 56.63; H, 3.85; F, 8.53; N, 9.43; O, 14.37; S, 7.20

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
ATV2301; ATV 2301; ATV-2301
IUPAC/Chemical Name
(R)-12-((S)-(3,4-difluorophenyl)(thiophen-2-yl)methyl)-7-hydroxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
InChi Key
FZUANDXZHWCVPH-MSOLQXFVSA-N
InChi Code
InChI=1S/C21H17F2N3O4S/c22-13-4-3-12(10-14(13)23)18(16-2-1-9-31-16)26-17-11-30-8-7-24(17)21(29)19-20(28)15(27)5-6-25(19)26/h1-6,9-10,17-18,28H,7-8,11H2/t17-,18+/m1/s1
SMILES Code
FC1=CC([C@H](N2N(C=C3)C(C(N4[C@@]2([H])COCC4)=O)=C(O)C3=O)C5=CC=CS5)=CC=C1F
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 445.44 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
Chen Y, Lu K, Rong B, Wen Y, Li G, Li S, Guo D, Zhou Q, Liu S, Zhang X. Discovery of Novel Thiophene-Based Baloxavir Derivatives as Potent Cap-Dependent Endonuclease Inhibitors for Influenza Treatment. J Med Chem. 2024 Dec 10. doi: 10.1021/acs.jmedchem.4c01979. Epub ahead of print. PMID: 39658517.