SARS-CoV-2-IN-32

Modify Date: 2024-01-09 16:19:43

SARS-CoV-2-IN-32 Structure
SARS-CoV-2-IN-32 structure
Common Name SARS-CoV-2-IN-32
CAS Number 96068-42-7 Molecular Weight 481.50300
Density N/A Boiling Point N/A
Molecular Formula C27H23N5O4 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of SARS-CoV-2-IN-32


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].

 Names

Name 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
Synonym More Synonyms

 SARS-CoV-2-IN-32 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
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

 Synonyms

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