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MedKoo Cat#: 129080 | Name: ALG-097558

Description:

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

ALG-097558 is a Pan-Coronavirus 3CLpro Inhibitor. ALG-097558 demonstrated pan-coronavirus activity against various SARS-CoV-2 variants (including Omicron BA.5), as well as other human coronaviruses (HCoVs) such as SARS-CoV-1, α-HCoV 229E, and β-HCoV OC43. ALG-097558 exhibited an EC90 of 24 nM in the presence of 40% human serum in a human airway epithelial cell culture air−liquid-interface model.

Chemical Structure

ALG-097558
ALG-097558
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 129080

Name: ALG-097558

CAS#: N/A

Chemical Formula: C25H32ClF2N5O4

Exact Mass: 539.2111

Molecular Weight: 540.01

Elemental Analysis: C, 55.61; H, 5.97; Cl, 6.56; F, 7.04; N, 12.97; O, 11.85

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
ALG-097558; ALG097558; ALG 097558
IUPAC/Chemical Name
(1S,3aR,4S,7R,7aS)-2-((S)-2-(2-chloro-2,2-difluoroacetamido)-3,3-dimethylbutanoyl)-N-((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole-1-carboxamide
InChi Key
PNNVRBRWYYTRGN-OQZODWCVSA-N
InChi Code
InChI=1S/C25H32ClF2N5O4/c1-24(2,3)19(32-23(37)25(26,27)28)22(36)33-11-16-12-4-5-13(8-12)17(16)18(33)21(35)31-15(10-29)9-14-6-7-30-20(14)34/h4-5,12-19H,6-9,11H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t12-,13+,14+,15+,16-,17+,18+,19-/m1/s1
SMILES Code
O=C([C@H]1N(C([C@@H](NC(C(F)(Cl)F)=O)C(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])C=C[C@]3([H])[C@]12[H])N[C@H](C#N)C[C@H]4C(NCC4)=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
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 540.01 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Bardiot D, McGowan DC, Gupta K, Deval J, Chang S, Jekle A, Liu C, Stevens S, Serebryany V, Tauchert MJ, Maskos K, Stoycheva AD, Ren S, Jaisinghani R, Faucher MO, Lin TI, Boland S, Chaltin P, Marchand A, Wuyts J, De Jonghe S, Jochmans D, Anugu S, Baloju V, Deta K, Welch M, Leyssen P, Neyts J, Laporte M, Abdelnabi R, Hu H, Zhang P, Le K, Chanda S, Smith DB, Raboisson P, Beigelman L, Symons JA, Blatt L, Vandyck K. Discovery and Preclinical Profile of ALG-097558, a Pan-Coronavirus 3CLpro Inhibitor. J Med Chem. 2025 Jun 30. doi: 10.1021/acs.jmedchem.5c00088. Epub ahead of print. PMID: 40586480.