| Identification | Back Directory | [Name]
4,4'-((3,4,5-trimethoxyphenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) | [CAS]
299919-79-2 | [Synonyms]
SARS-CoV-2-IN-33
4,4'-((3,4,5-trimethoxyphenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
1H-Pyrazol-5-ol, 4,4'-[(3,4,5-trimethoxyphenyl)methylene]bis[3-methyl-1-phenyl- | [Molecular Formula]
C30H30N4O5 | [MOL File]
299919-79-2.mol | [Molecular Weight]
526.58 |
| Chemical Properties | Back Directory | [Melting point ]
199 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
702.3±60.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [pka]
8.05±0.50(Predicted) |
| Hazard Information | Back Directory | [Uses]
SARS-CoV-2-IN-33 (compound 3m) is a COVID-19 inhibitor. SARS-CoV-2-IN-33 shows anti-proliferative activity against cancer cells. SARS-CoV-2-IN-33 exhibits comparatively good binding affinity (-8.0 Kcal/mole) to COVID-19 main protease (Mpro) (PDB ID: 6LU7). SARS-CoV-2-IN-33 can be used in studies of cancer and COVID-19[1]. | [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. |
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