Celecoxib 塞来西布
CAS 169590-42-5 MFCD00941298
化学结构图
SMILES: Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
化学属性
| Mol. Formula | C17H14F3N3O2S |
|---|---|
| Mol. Weight | 381 |
| Melting Point | 161.0 to 165.0 deg-C |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Celecoxib |
|---|---|
| CAS Number | 169590-42-5 |
| Alfabeta Name | METHYLPHENYLTRIFLUOROMETHYLPYRAZOLYLBENZENESULFONAMIDE 45431[](())-------- |
| MDL Number | MFCD00941298 |
| Synonym | 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide CJ-016377 CP-598107 PF-00345549 PHA-00846533 SC-58635 YM-177 CP-598107 PF-00345549 PHA-00846533 SC-58635 SC-58635; SC 58635; SC58635; YM-177; YM 177; YM177. Celecoxib; brand name Celebrex; Xilebao. YM-177 |
| Chemical Name Translation | 塞来西布 |
| LabNetwork Molecule ID | LN00149628 |
| PubChem Substance ID | 253660758 |
| Reaxys-RN | 7662430 |
| Merck Number | 1956 |
| Formula | C17H14F3N3O2S |
| IUPAC Name | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| InChIKey | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
| Canonical SMILES | O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3)C=C1)(N)=O |
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分类
- {SA} Approved Therapeutics/Drug Candidates, Arachidonic Acid Cascade, Bioactive Small Molecules, C-CH, Cell Biology, Cell Signaling and Neuroscience, Cyclooxygenase, Enzyme Inhibitors, Lipids in Cell Signaling, Pfizer Compounds
- Inhibitors
- Sulfur & Selenium Compounds
- Pharmaceuticals
- Pfizer compounds
- Intermediates & Fine Chemicals
- {SNA} Approved Therapeutics/Drug Candidates, Arachidonic Acid Cascade, Bioactive Small Molecule Alphabetical Index, C-CH, Cyclooxygenase, Diversification Ready Pharma-Developed Compounds, Enzyme Inhibitors, Lipids in Cell Signaling, Pfizer Compounds, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
产品应用
- Celecoxib, also known as SC-58635 and YM-177, is a COX-2 selective nonsteroidal anti-inflammatory drug (NSAID). It is used to treat the pain and inflammation of osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, acute pain in adults, painful menstruation, and juvenile rheumatoid arthritis in people two years or older.
相关文献及参考
- Simon, L.S., et al.: Arthritis Rheum., 41, 1591 (1998),
- Silverstein, F.E., et al.: J. Am. Med. Assoc., 284, 1247 (2000),
- Liu, Y., et al., Arsenic Trioxide Inhibits Invasion/migration In SGC-7901 Cells By Activating The Reactive Oxygen Species-dependent Cyclooxygenase-2/matrix Metalloproteinase-2 Pathway. Exp. Biol. Med. 236 , 592-7, (2011) 摘要
- Brueggemann LI., et al., Differential effects of selective cyclooxygenase-2 inhibitors on vascular smooth muscle ion channels may account for differences in cardiovascular risk profiles. Mol. Pharmacol. 76 , 1053-1061, (2009) 摘要
- Tang C., et al., Major role of human liver microsomal cytochrome P450 2C9 (CYP2C9) in the oxidative metabolism of celecoxib, a novel cyclooxygenase-II inhibitor. J. Pharmacol. Exp. Ther. 293 , 453-459, (2000) 摘要
- Tacconelli S., et al., The biochemical selectivity of novel COX-2 inhibitors in whole blood assays of COX-isozyme activity. Curr. Med. Res. Opin. 18 , 503-511, (2002)
- Merck 14 ,1956
安全信息
GHS Symbol
- P308+P313
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P405 Store locked up. 上锁保管。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
- H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
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