Benzene,1-nitro-4-(2-nitroethenyl)-

Names

[ Name ]:
Benzene,1-nitro-4-(2-nitroethenyl)-

[Synonym ]:
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

Biological Activity

[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]:

Research Areas >> Infection

Signaling Pathways >> Anti-infection >> SARS-CoV

[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..

Chemical & Physical Properties

[ 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

Safety Information

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ HS Code ]:
2904209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%