SARS-CoV-2-IN-32

Names

[ CAS No. ]:
96068-42-7

[ Name ]:
SARS-CoV-2-IN-32

[Synonym ]:
4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-nitophenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
4,4'-[(4-nitrophenyl)methylene]bis(3-methyl-1-phenyl-pyrazol-5-ol)
1H-Pyrazol-5-ol,4,4'-[(4-nitrophenyl)methylene]bis[3-methyl-1-phenyl
4,4'-((4-nitrophenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(4-nitro-phenylmethanediyl)-bis-pyrazol-3-one

Biological Activity

[Description]:

SARS-CoV-2-IN-32 (compound 3g) is a COVID-19 inhibitor. SARS-CoV-2-IN-32 shows anti-proliferative activity against cancer cells. SARS-CoV-2-IN-32 exhibits comparatively high binding affinity (-8.8 Kcal/mole) to COVID-19 main protease (Mpro) (PDB ID: 6LU7). SARS-CoV-2-IN-32 can be used in studies of cancer and COVID-19[1].

[Related Catalog]:

Research Areas >> Cancer
Research Areas >> Infection
Signaling Pathways >> Anti-infection >> SARS-CoV

[Target]

COVID-19[1].


[In Vitro]

SARS-CoV-2-IN-32 (0-40 µM; 48 h) exhibits antiproliferative activity in MCF-7, MDA-MB-231, HeLa and PC-3 cells[1]. Cell Proliferation Assay[1] Cell Line: MCF-7, MDA-MB-231, HeLa, PC-3, Ishikawa, HEK-293 Concentration: 0-40 µM Incubation Time: 48 h Result: Inhibited proliferation of MCF-7, MDA-MB-231, HeLa, PC-3, Ishikawa, HEK-293 cells with IC50 values of 35.64, 39.56, 38.32, 35.38, >40 and >40 μM, respectively.

[References]

[1]. Gupta A, et al. Visible Light-Promoted Green and Sustainable Approach for One-Pot Synthesis of 4, 4’-(Arylmethylene) bis (1H-pyrazol-5-ols), In Vitro Anticancer Activity, and Molecular Docking with Covid-19 Mpro. ACS Omega, 2022.

Chemical & Physical Properties

[ Molecular Formula ]:
C27H23N5O4

[ Molecular Weight ]:
481.50300

[ Exact Mass ]:
481.17500

[ PSA ]:
121.40000

[ LogP ]:
4.87300

Synthetic Route

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Related Compounds