SARS-CoV-2-IN-32
SARS-CoV-2-IN-32 structure
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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-32SARS-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 |
|---|---|
| Synonym | More Synonyms |
| 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]. |
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| 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 |
| Molecular Formula | C27H23N5O4 |
|---|---|
| Molecular Weight | 481.50300 |
| Exact Mass | 481.17500 |
| PSA | 121.40000 |
| LogP | 4.87300 |
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~98%
SARS-CoV-2-IN-32 CAS#:96068-42-7 |
| Literature: Sobhani, Sara; Hasaninejad, Ali-Reza; Maleki, Mahdi Faal; Parizi, Zahra Pakdin Synthetic Communications, 2012 , vol. 42, # 15 p. 2245 - 2255 |
|
~90%
SARS-CoV-2-IN-32 CAS#:96068-42-7 |
| Literature: Bhavanarushi; Kanakaiah; Bharath, Gandu; Gangagnirao; Vatsala Rani Medicinal Chemistry Research, 2014 , vol. 23, # 1 p. 158 - 167 |
|
~82%
SARS-CoV-2-IN-32 CAS#:96068-42-7 |
| Literature: Tale, Nilesh P.; Tiwari, Girdharilal B.; Karade, Nandkishor N. Chinese Chemical Letters, 2011 , vol. 22, # 12 p. 1415 - 1418 |
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~%
SARS-CoV-2-IN-32 CAS#:96068-42-7 |
| Literature: Seddighi, Mohadeseh; Shirini, Farhad; Mamaghani, Manouchehr RSC Advances, 2013 , vol. 3, # 46 p. 24046 - 24053 |
|
~78%
SARS-CoV-2-IN-32 CAS#:96068-42-7 |
| Literature: Li, Xiao-Liu; Wang, Yong-Mei; Tian, Bing; Matsuura, Teruo; Meng, Ji-Ben Journal of Heterocyclic Chemistry, 1998 , vol. 35, # 1 p. 129 - 134 |
| 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 |