Synonym
FB2001; FB 2001; FB-2001; Bofutrelvir;
IUPAC/Chemical Name
N-((S)-3-cyclohexyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)propan-2-yl)-1H-indole-2-carboxamide
InChi Key
HPKJGHVHQWJOOT-ZJOUEHCJSA-N
InChi Code
InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1
SMILES Code
O=C(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@@H]2CCNC2=O)C([H])=O)=O)C(N3)=CC4=C3C=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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
452.56
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: Hu S, Zhang Y, Wang C, Li J, Su H, Xie X, Wang J, Wang J, Cao J, He X, Xu Y, Zhang L, Dai W, Liu H. Development of Orally Bioavailable Octahydroindole-Based Peptidomimetic Derivative as a Broad-Spectrum Inhibitor against HCoV-OC43 and SARS-CoV-2. J Med Chem. 2025 May 22. doi: 10.1021/acs.jmedchem.4c03024. Epub ahead of print. PMID: 40400488.
2: Janin YL. On the origins of SARS-CoV-2 main protease inhibitors. RSC Med Chem. 2023 Oct 13;15(1):81-118. doi: 10.1039/d3md00493g. PMID: 38283212; PMCID: PMC10809347.
3: Moghadasi SA, Biswas RG, Harki DA, Harris RS. Rapid resistance profiling of SARS-CoV-2 protease inhibitors. NPJ Antimicrob Resist. 2023 Aug 20;1(1):9. doi: 10.1038/s44259-023-00009-0. PMID: 39843958; PMCID: PMC11721111.
4: Yang L, Wang Z. Bench-to-bedside: Innovation of small molecule anti-SARS- CoV-2 drugs in China. Eur J Med Chem. 2023 Sep 5;257:115503. doi: 10.1016/j.ejmech.2023.115503. Epub 2023 May 18. PMID: 37229831; PMCID: PMC10193775.
5: Moghadasi SA, Biswas RG, Harki DA, Harris RS. Rapid resistance profiling of SARS-CoV-2 protease inhibitors. Res Sq [Preprint]. 2023 Mar 15:rs.3.rs-2627723. doi: 10.21203/rs.3.rs-2627723/v1. Update in: NPJ Antimicrob Resist. 2023 Aug 20;1(1):9. doi: 10.1038/s44259-023-00009-0. PMID: 36993515; PMCID: PMC10055523.
6: Moghadasi SA, Biswas RG, Harki DA, Harris RS. Rapid resistance profiling of SARS-CoV-2 protease inhibitors. bioRxiv [Preprint]. 2023 Feb 27:2023.02.25.530000. doi: 10.1101/2023.02.25.530000. Update in: This article has been published with doi: 10.1038/s44259-023-00009-0. PMID: 36909573; PMCID: PMC10002627.
7: Shang W, Dai W, Yao C, Xu L, Tao X, Su H, Li J, Xie X, Xu Y, Hu M, Xie D, Jiang H, Zhang L, Liu H. In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2. Antiviral Res. 2022 Dec;208:105450. doi: 10.1016/j.antiviral.2022.105450. Epub 2022 Oct 29. PMID: 36354082; PMCID: PMC9617675.
