An inhibitor of SARS-CoV-2 Mpro
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Bofutrelvir

Item No. 31344

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
CAS Number
2103278-86-8
Synonyms
  • FB2001
Molecular Formula
C25H32N4O4
Formula Weight
452.6
Purity
≥95%
Formulation (Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/ml
λmax
218, 296 nm
SMILES
O=C1NCC[C@H]1C[C@H](NC([C@@H](NC(C2=CC(C=CC=C3)=C3N2)=O)CC4CCCCC4)=O)C=O
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
InChi Key
HPKJGHVHQWJOOT-ZJOUEHCJSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    Cayman Chemical
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    Product Description

    Bofutrelvir is an inhibitor of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro; IC50 = 0.053 µM in a TR-FRET assay).1 It reduces viral yield in the culture supernatant of SARS-CoV-2-infected Vero E6 cells (EC50 = 0.53 µM). Bofutrelvir also reduces viral RNA copy numbers in the same model when used at concentrations ranging from 1.85 to 50 µM.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Dai, W., Zhang, B., Jiang, X.-M., et al. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science 368(6497), 1331-1335 (2020).