96068-42-7

96068-42-7 structure

Name: SARS-CoV-2-IN-32
Chemical Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
CAS Number: 96068-42-7
Molecular Formula: C₂₇H₂₃N₅O₄
Molecular Weight: 481.50300
Catalog: Signaling Pathways Anti-infection SARS-CoV
Create Date: 2017-06-08 19:00:20
Modify Date: 2024-01-09 16:19:43
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].

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

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.

555-16-8

89-25-8

~98%

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555-16-8

942-32-5

~90%

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Literature: Bhavanarushi; Kanakaiah; Bharath, Gandu; Gangagnirao; Vatsala Rani Medicinal Chemistry Research, 2014 , vol. 23, # 1 p. 158 - 167

99-61-6

89-25-8

~82%

96068-42-7

Literature: Tale, Nilesh P.; Tiwari, Girdharilal B.; Karade, Nandkishor N. Chinese Chemical Letters, 2011 , vol. 22, # 12 p. 1415 - 1418

100-63-0

96068-42-7

Literature: Seddighi, Mohadeseh; Shirini, Farhad; Mamaghani, Manouchehr RSC Advances, 2013 , vol. 3, # 46 p. 24046 - 24053

68901-70-2

942-32-5

~78%

96068-42-7