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ChemicalBook--->CAS DataBase List--->2708270-99-7

2708270-99-7

2708270-99-7 Structure

2708270-99-7 Structure
IdentificationBack Directory
[Name]

rel-(5bR,7aS,14aS)-5b,6,7,7a,8,13,14,14a,16,17-Decahydro-7a,10-dimethoxy-5H-indolo[3′,2′:8,9]quinolizino[4,3-b]carbazole
[CAS]

2708270-99-7
[Synonyms]

SIMR3030
rel-(5bR,7aS,14aS)-5b,6,7,7a,8,13,14,14a,16,17-Decahydro-7a,10-dimethoxy-5H-indolo[3′,2′:8,9]quinolizino[4,3-b]carbazole
5H-Indolo[3′,2′:8,9]quinolizino[4,3-b]carbazole, 5b,6,7,7a,8,13,14,14a,16,17-decahydro-7a,10-dimethoxy-, (5bR,7aS,14aS)-rel-
[Molecular Formula]

C27H29N3O2
[MOL File]

2708270-99-7.mol
[Molecular Weight]

427.54
Chemical PropertiesBack Directory
[Boiling point ]

644.0±55.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
[pka]

16.88±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

SIMR3030 is a potent SARS-CoV-2 PLpro inhibitor with an IC50 value of 0.0399 μg/mL. SIMR3030 shows antiviral activity. SIMR3030 decreases SARS-CoV spike, ORF1b, IFN-α, IL-6 mRNA expression. SIMR3030 exhibits a satisfactory safety profile in mice[1].
[in vivo]

SIMR3030 (25, 50, 100 mg/kg; I.p.; daily for 14 days) exhibits a satisfactory safety profile in experimental mice model[1].

Animal Model:18-25 g, adult female Balb/c mice[1]
Dosage:25, 50, 100 mg/kg
Administration:I.p.; daily for 14 days
Result:Showed no signs of toxicity or weight loss were noticed during 12.5 and 25 mg/kg multiple-dose studies for 14 days, no signs of toxicity or weight loss were noticed during 12.5 and 25 mg/kg multiple-dose studies for 14 days.
[References]

[1] Hersi F, et al. Discovery of novel papain-like protease inhibitors for potential treatment of COVID-19. Eur J Med Chem. 2023 Jun 5;254:115380. DOI:10.1016/j.ejmech.2023.115380
2708270-99-7 suppliers list
Company Name: TargetMol Chemicals Inc.
Tel: +17819995354 , +17819995354
Website:
Company Name: TargetMol Chemicals Inc.  
Tel: 15002134094
Website: https://www.targetmol.cn/
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