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3156-41-0

3156-41-0 structure
3156-41-0 structure
  • Name: Benzene,1-nitro-4-(2-nitroethenyl)-
  • Chemical Name: β,4-DINITROSTYRENE
  • CAS Number: 3156-41-0
  • Molecular Formula: C8H6N2O4
  • Molecular Weight: 194.14
  • Catalog: Signaling Pathways Anti-infection SARS-CoV
  • Create Date: 2018-10-17 18:27:48
  • Modify Date: 2024-01-09 11:05:12
  • SARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene coronavirus SARS-CoV-2 inhibitor that targets the SARS-CoV-2 3CL protease (3CLpro). SARS-CoV-2 3CLpro-IN-15 inhibits viral replication and transcription and plays a key role in the discovery of anti-COVID-19 lead compounds[1].

Name β,4-DINITROSTYRENE
Synonyms 1-(4-nitrophenyl)-2-nitroethene
1-nitro-4-(2-nitrovinyl)benzene
^b,4-Dinitrostyrene
4-Nitro-b-nitrostyrene
1-nitro-2-(4-nitrophenyl)ethene
MFCD00052058
4-NITROPHENYLNITROETHENE
Description SARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene coronavirus SARS-CoV-2 inhibitor that targets the SARS-CoV-2 3CL protease (3CLpro). SARS-CoV-2 3CLpro-IN-15 inhibits viral replication and transcription and plays a key role in the discovery of anti-COVID-19 lead compounds[1].
Related Catalog
Target

IC50: 0.7297 μM (SARS-CoV-2 3CL protease)[1]

References

[1]. Jia ZJ, et al. Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease. J Mol Struct. 2023 Jul 15;1284:135409..  

Density 1.401g/cm3
Boiling Point 320ºC at 760mmHg
Melting Point 203-205ºC
Molecular Formula C8H6N2O4
Molecular Weight 194.14
Flash Point 156.9ºC
Exact Mass 194.03300
PSA 91.64000
LogP 2.88860
Index of Refraction 1.642
Risk Phrases R36/37/38
Safety Phrases S26-S36
HS Code 2904209090
HS Code 2904209090
Summary 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%