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

Click to get detail synthetic route

Related Compounds

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.