1H-Pyrazole-3-carbonitrile, 1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-
COX-2-IN-2
CAS: 134729-13-8
Molecular Formula: C17H12FN3O2S
1H-Pyrazole-3-carbonitrile, 1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]- - Names and Identifiers
1H-Pyrazole-3-carbonitrile, 1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]- - Physico-chemical Properties
| Molecular Formula | C17H12FN3O2S |
| Molar Mass | 341.3594832 |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Boling Point | 563.6±50.0 °C(Predicted) |
| pKa | -5.89±0.10(Predicted) |
| Storage Condition | 2-8°C，密封，干燥 |
| In vitro study | COX-2-IN-2 shows no COX-1 inhibition even at 100μM. |
| In vivo study | COX-2-IN-2 has oral ED 50 values of 0.030 and 0.47mg/kg on adjuvant-induced arthritis and collagen-induced arthritis, respectively, and an ED 30 value of 7.4mg/kg in the yeast-induced hyperalgesia (Randall-Selitto) assay. COX-2-IN-2 shows good analgesic activity and no ulcerogenicity. |
1H-Pyrazole-3-carbonitrile, 1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]- - Introduction
1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile is an organic compound with the following properties:
Nature:
-Appearance: White crystalline solid
-molecular formula: C18H11FN4O2S
-Molecular weight: 380.37g/mol
-Melting point: About 157-159 ° C
-Solubility: Soluble in some organic solvents
Use:
- 1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile is an intermediate for the synthesis of organic compounds. It has important applications in the field of drug synthesis, especially for the synthesis of biologically active compounds.
Preparation Method:
The preparation of -1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile can be achieved by a variety of synthetic routes. A general method is the Suzuki coupling reaction of 2-bromothiophenol and 4-fluorobenzene borate under base catalysis to obtain 1-(4-fluorophenyl)-2-(4-Methylsulfonylphenyl) ethane -1, 3-dione. It is subsequently converted to the final product by classical pyrazole cyclization and cyanation reactions.
Safety Information:
- 1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile has limited safety information, therefore, it needs to be handled with caution when using.
-It may be irritating to the skin, eyes and mucous membranes, so personal protective equipment such as gloves and goggles should be worn during operation.
-It may be harmful to the environment and should be avoided to release into the water environment.
-When using, storing, and handling this compound, observe proper laboratory practices and relevant safety measures, such as avoiding inhalation, ingestion, or exposure. If there is any discomfort or accident, please consult a doctor or professional.
Nature:
-Appearance: White crystalline solid
-molecular formula: C18H11FN4O2S
-Molecular weight: 380.37g/mol
-Melting point: About 157-159 ° C
-Solubility: Soluble in some organic solvents
Use:
- 1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile is an intermediate for the synthesis of organic compounds. It has important applications in the field of drug synthesis, especially for the synthesis of biologically active compounds.
Preparation Method:
The preparation of -1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile can be achieved by a variety of synthetic routes. A general method is the Suzuki coupling reaction of 2-bromothiophenol and 4-fluorobenzene borate under base catalysis to obtain 1-(4-fluorophenyl)-2-(4-Methylsulfonylphenyl) ethane -1, 3-dione. It is subsequently converted to the final product by classical pyrazole cyclization and cyanation reactions.
Safety Information:
- 1-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl) pyrazole-3-carbonitrile has limited safety information, therefore, it needs to be handled with caution when using.
-It may be irritating to the skin, eyes and mucous membranes, so personal protective equipment such as gloves and goggles should be worn during operation.
-It may be harmful to the environment and should be avoided to release into the water environment.
-When using, storing, and handling this compound, observe proper laboratory practices and relevant safety measures, such as avoiding inhalation, ingestion, or exposure. If there is any discomfort or accident, please consult a doctor or professional.
Last Update：2024-04-09 20:49:11
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