非罗考昔
| 中文名称 | 非罗考昔 |
|---|---|
| 中文同义词 | 3-(环丙基甲氧基)-5,5-二甲基-4-[4-(甲基磺酰基)苯基]-2(5H)-呋喃酮;非罗考昔;非罗考昔溶液, 100PPM |
| 英文名称 | Firocoxib |
| 英文同义词 | ML 1785713;Previcox;3-Cyclopropylmethoxy-4-(4-methanesulfonylphenyl)-5,5-dimethyl-5H-furan-2-one;FIROCOXIB;2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-4-(methylsulfonyl)phenyl-;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2- one;3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone;Equioxx |
| CAS号 | 189954-96-9 |
| 分子式 | C17H20O5S |
| 分子量 | 336.4 |
| EINECS号 | 200-001-2 |
| 相关类别 | 信号转导通路激酶抑制剂;化工中间体;兽药原料药;兽药原料;医用原料;Aromatics;Heterocycles;THIOCYMETIN;原料药;化学试剂;医药原料;原料;抗炎类;化工品;分析化学;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;APIs |
| Mol文件 | 189954-96-9.mol |
| 结构式 |  |
非罗考昔 性质
| 熔点 | 78-80°C |
|---|---|
| 沸点 | 563.9±50.0 °C(Predicted) |
| 密度 | 1.31 |
| 储存条件 | Sealed in dry,Store in freezer, under -20°C |
| 溶解度 | 可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许） |
| 形态 | 固体 |
| 颜色 | 白色至类白色 |
| InChI | InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3 |
| InChIKey | FULAPETWGIGNMT-UHFFFAOYSA-N |
| SMILES | O1C(C)(C)C(C2=CC=C(S(C)(=O)=O)C=C2)=C(OCC2CC2)C1=O |
以化合物A为起始原料，与乙酰氧基乙酰氯反应生成化合物B；化合物B加入DBU，于80℃至少反应18h，得到化合物C；化合物C再在溶剂DMF中，NaH做碱的条件下与环丙基溴甲烷反应生成非罗考昔。反应式如下：
|
COX-2 0.13 μM (IC 50 ) |
COX-1 7.5 μM (IC 50 ) |
The COX-1:COX-2 selectivity ratios generally are established by comparing the IC 50 for COX-1 to the IC 50 for COX-2. The IC 80 value more closely resembles the steady-state plasma drug concentration than does the IC 50 value.The selectivity ratio for Firocoxib based on the IC 80 values is 121 (IC 80 of 0.36 μM and 43.6 μM for COX-2 and COX-1, respectively), indicating that selectivity for COX-2 is not reduced at concentrations higher than the IC 50 . Notably, Firocoxib concentrations that yield 80% to 95% inhibition of COX-2 produce < 20% inhibition of COX-1.
Firocoxib (0.75-1.5mg/kg; oral gavage; female domestic shorthair cats) treatment efficacious in attenuating fever when administered to cats 1 or 14 hours before LPS challenge.
Pharmacokinetic properties of Firocoxib are determined after i.v. (2 mg/kg) and oral (3 mg/kg) administration in male cats. Firocoxib has moderate to high oral bioavailability (54% to 70%), low plasma clearance (4.7 to 5.8 mL/min/kg), and an elimination half-life of 8.7 to 12.2 hours.
| Animal Model: | 14 healthy female domestic shorthair cats (11-15 months old, 2.9-3.9 kg) with lipopolysaccharide (LPS) |
| Dosage: | 0.75 mg/kg, 1.5 mg/kg |
| Administration: | Oral gavage |
| Result: | Was efficacious in attenuating fever when administered to cats 1 or 14 hours before LPS challenge. |
安全信息
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2024/01/25 | HY-14670 | 非罗考昔 Firocoxib | 189954-96-9 | 10mM * 1mLin DMSO | 520元 |
| 2024/01/25 | HY-14670 | 非罗考昔 Firocoxib | 189954-96-9 | 5mg | 850元 |