Celecoxib
Celecoxib
CAS: 169590-42-5;184007-95-2
Molecular Formula: C17H14F3N3O2S
Celecoxib - Names and Identifiers
Celecoxib - Physico-chemical Properties
| Molecular Formula | C17H14F3N3O2S |
| Molar Mass | 381.37 |
| Density | 1.43±0.1 g/cm3(Predicted) |
| Melting Point | 157-159°C |
| Boling Point | 529.0±60.0 °C(Predicted) |
| Flash Point | 273.7°C |
| Water Solubility | 7mg/L(25 ºC) |
| Solubility | Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. |
| Vapor Presure | 2.81E-11mmHg at 25°C |
| Appearance | Pale yellow solid |
| Color | white to off-white |
| Merck | 14,1956 |
| pKa | 9.68±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months. |
| Sensitive | `sensitive` to heat and light |
| Refractive Index | 1.605 |
| MDL | MFCD00941298 |
| Physical and Chemical Properties |
|
| Use | For the treatment of arthritis, with anti-inflammatory analgesic, relieve osteoarthritis and rheumatoid arthritis symptoms and signs of action |
Celecoxib - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R52 - Harmful to aquatic organisms R61 - May cause harm to the unborn child R60 - May impair fertility |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S28 - After contact with skin, wash immediately with plenty of soap-suds. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| RTECS | DB2944937 |
| HS Code | 29350090 |
| Hazard Class | IRRITANT |
Celecoxib - Reference
| Reference Show more | 1. Yan, Wen-xia, et al. "Anti-inflammatory activity studies on the stems and roots of Jasminum lanceolarium Roxb." Journal of ethnopharmacology 171 (2015): 335-341.https://doi.org/10.1016/j.jep.2015.05.044 2. [IF=8.679] Dali Tong et al."Metformin inhibits castration-induced EMT in prostate cancer by repressing COX2/PGE2/STAT3 axis."Cancer Lett. 2017 Mar;389:23 3. [IF=4.36] Wen-xia Yan et al."Anti-inflammatory activity studies on the stems and roots of Jasminum lanceolarium Roxb."J Ethnopharmacol. 2015 Aug;171:335 4. [IF=0] Qiuli Liu et al."Metformin represses bladder cancer progression by inhibiting stem cell repopulation via COX2/PGE2/STAT3 axis."Oncotarget. 2016 May 10; 7(19): 28235–28246 5. [IF=6.843] Ping Yan et al."A versatile nanoagent for multimodal imaging-guided photothermal and anti-inflammatory combination cancer therapy."Biomater Sci-Uk. 2021 Jul;9(14):5025-5034 |
Celecoxib - Introduction
Celecoxib is a selective inhibitor of cyclooxygenase-2 (COX-2) with an IC50 of 40 nM.
Last Update：2022-10-16 17:14:22
Celecoxib - Introduction
Celecoxib is an organic compound with the chemical name N,N-dimethylmethanethiol. Its chemical formula is C4H9SSCH3, which is an organic sulfide with a sulfur atom. Celecoxib is a colorless liquid with a pungent odor.
Celecoxib is mainly used as an organic synthesis reagent and ligand. It can be applied to the synthesis of drugs, the preparation of metal complexes and organic sulfurization reactions. In drug synthesis, Celecoxib is often used as a reducing agent and catalyst; In the preparation of metal complexes, Celecoxib can form stable coordination bonds with metals; In organic sulfidation reactions, Celecoxib can be used as a sulfur source.
The preparation method of Celecoxib is generally obtained by the oxidation reaction of cuprous sulfide and N,N-dimethyl methyl mercaptan. The specific preparation method can refer to the relevant synthetic literature or use the commercially available Celecoxib supply.
Celecoxib has high safety, is relatively stable at room temperature, and is soluble in many organic solvents. However, Celecoxib is volatile and care should be taken to prevent inhalation. When using or storing Celecoxib, follow appropriate safety procedures, including wearing protective gloves, goggles and appropriate protective measures. At the same time, Celecoxib should be kept away from fire and oxidant to avoid reaction with other chemicals. If accidental exposure or leakage occurs, it should be ventilated in time and follow relevant emergency treatment procedures. When Celecoxib waste is disposed of, local codes and regulations shall be complied. If necessary, it is recommended to consult a professional or refer to the relevant chemical safety data form.
Celecoxib is mainly used as an organic synthesis reagent and ligand. It can be applied to the synthesis of drugs, the preparation of metal complexes and organic sulfurization reactions. In drug synthesis, Celecoxib is often used as a reducing agent and catalyst; In the preparation of metal complexes, Celecoxib can form stable coordination bonds with metals; In organic sulfidation reactions, Celecoxib can be used as a sulfur source.
The preparation method of Celecoxib is generally obtained by the oxidation reaction of cuprous sulfide and N,N-dimethyl methyl mercaptan. The specific preparation method can refer to the relevant synthetic literature or use the commercially available Celecoxib supply.
Celecoxib has high safety, is relatively stable at room temperature, and is soluble in many organic solvents. However, Celecoxib is volatile and care should be taken to prevent inhalation. When using or storing Celecoxib, follow appropriate safety procedures, including wearing protective gloves, goggles and appropriate protective measures. At the same time, Celecoxib should be kept away from fire and oxidant to avoid reaction with other chemicals. If accidental exposure or leakage occurs, it should be ventilated in time and follow relevant emergency treatment procedures. When Celecoxib waste is disposed of, local codes and regulations shall be complied. If necessary, it is recommended to consult a professional or refer to the relevant chemical safety data form.
Last Update：2024-04-09 21:11:58
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