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2920904-06-7

2920904-06-7 Structure

2920904-06-7 Structure
IdentificationBack Directory
[Name]

SARS-CoV-2-IN-41)
[CAS]

2920904-06-7
[Synonyms]

SARS-CoV-2-IN-41)
Simnotrelvir (SIM0417
[Molecular Formula]

C22H30F3N5O4S2
[MOL File]

2920904-06-7.mol
[Molecular Weight]

549.63
Chemical PropertiesBack Directory
[Boiling point ]

838.0±65.0 °C(predicted)
[density ]

1.41±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[form ]

Solid
[pka]

10.01±0.46(predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0.022 μM. SARS-CoV-2-IN-41 shows antiviral effect[1].
[in vivo]

SARS-CoV-2-IN-41 (50, 200 mg/kg; I.p.) antiviral effect in SARS-CoV-2 infected mice[1].

Animal Model:7-8 weeks, hACE2-K18 transgenic mice (infected with the delta strain of SARS-CoV-2 by intranasal drops)[1]
Dosage:50, 200 mg/kg (combined with 50 mg/kg cytochrome P450 inhibitor ritonavir)
Administration:I.p.; dose on day 0 1 time, 2 times on the 1st day, 1 time on the 2nd day
Result:Significantly reduced the viral load in the lungs, after 4 days of infection, a sustained inhibitory effect of compound 2 on viral copy number was observed.
[References]

[1] XiangRui et al. Cyano compound, and preparation method therefor and use thereof. WO2023051657A1.
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