计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
伐地考昔, 环氧化酶-2 抑制剂
有货
为什么选择此级别
Moligand™ 级 ，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-80℃储存。特低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Valdecoxib is a prescription NSAID exhibiting anti-inflammatory, analgesic, and antipyretic properties. Valdecoxib inhibits prostaglandin synthesis via Cox-2 inhibition and is used in the treatment of osteoarthritis and theumatoid arthritis. Valdecoxib selectively inhibits Cox-2 (IC50 of 0.005 μM) over Cox-1 (IC50 of 140 μM).A selective inhibitor of Cox-2
Information
Valdecoxib is a potent and selective inhibitor ofCOX-2withIC50of 5 nM.
In vitro
Valdecoxib inhibits LPS-induced\u2009PGE2 production in plasma with IC50 of 0.89 μM for assessment of the extent of COX-2 inhibition.\u2009 Valdecoxib inhibits TxB2 production in plasma with IC50 of 25.4 μM for assessment of the extent of COX-1 inhibition. Valdecoxib binds to COX-2 with Ka of 1.1×105 M/s. The overall saturation binding affinity for COX-2 of Valdecoxib is 2.6 nM. Valdecoxib shows similar activity in the human whole-blood COX assay (COX-2 IC50 = 0.24 μM; COX-1 IC50 = 21.9 μM). The affinity of [3H]Valdecoxib for COX-2 with KD of 3.2 nM. The binding of Valdecoxib to COX-2 seems to be both rapid and slowly reversible with association rates of 4.5 × 106/M/min and dissociation rates of 7.0 × 10-3/min (t1/2 of 98 min). The percent of dissolved Valdecoxib at 15 min (DP15) is 10.5% for Valdecoxib and 50%, 91% and 93% for its hydrophilic derivatives (VALD-βCd, VALD-HPβCd and VALD-SBE7βCd complexes), respectively.
In vivo
Valdecoxib administrated orally inhibits rat carrageenan foot pad edema with ED50 of 10.2 mg/kg.\u2009Valdecoxib administrated orally shows chronic antiinflammatory activity with ED50 of 0.032 mg/kg/day in rat adjuvant arthritis model. Valdecoxib administrated orally shows blockade of prostaglandin production at the inflammatory site with ED50 of 0.02 mg/kg in the rat carrageenan air pouch model. Valdecoxib demonstrates marked potency in acute and chronic models of inflammation (air pouch ED50 = 0.06 mg/kg; paw edema ED50 = 5.9 mg/kg; adjuvant arthritis ED50 = 0.03 mg/kg) in rats. Valdecoxib alone shows slow in vivo absorption giving maximum % inhibition of edema (16%) after a period of 3 hour. In contrast, VALD-βCd and VALD-SBE7βCd complexes shows high absorption rate in vivo achieving more than 50% inhibition of edema in the 1 hour and maximum percentage of inhibition of edema (66%) after a period of 3 hours. Valdecoxib (5 mg/kg, po) results in AUC in plasma of 3.58 μg*h/mL and 2.08 μg*h/mL in males and female mice, respectively. Valdecoxib (5 mg/kg, po) results in AUC red blood cells of 12.1 μg*h/mL and 6.42 μg*h/mL in males and female mice, respectively.
Cell Data
cell lines：
Concentrations：
Incubation Time：
Powder Purity:≥99%
规格
英文别名
Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
规格或纯度
Moligand™, 10mM in DMSO
英文名称
Valdecoxib
生化机理
Valdecoxib 是一种强效的 COX-2 选择性抑制剂，其 IC50 值为 5 nM。
储存条件
-80℃储存
运输条件
特低温运输
作用类型
抑制剂
作用机制
环氧化酶-2 抑制剂
名称和识别符
EC号
803-082-3
分子类型
小分子
Isomeric SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
PubChem CID
分子量
314.36
技术文档
高级数据
产品属性
| ALogP | 2.6 |
|---|
关联靶点（人）
CA5A
Tclin
碳酸酐酶 5A，线粒体(Carbonic anhydrase 5A, mitochondrial)
(1 活性数据)
PTGS2
Tclin
前列腺素 G/H 合酶 2(Prostaglandin G/H synthase 2)
(15 活性数据)
CA5B
Tclin
碳酸酐酶 5B，线粒体(Carbonic anhydrase 5B, mitochondrial)
(1 活性数据)
CA6
Tclin
碳酸酐酶6(Carbonic anhydrase 6)
(2 活性数据)
CA13
Tclin
碳酸酐酶13(Carbonic anhydrase 13)
(1 活性数据)
CA2
Tclin
碳酸酐酶2(Carbonic anhydrase 2)
(40 活性数据)
CA12
Tclin
碳酸酐酶12(Carbonic anhydrase 12)
(6 活性数据)
CA14
Tclin
碳酸酐酶14(Carbonic anhydrase 14)
(1 活性数据)
CA9
Tclin
碳酸酐酶9(Carbonic anhydrase 9)
(8 活性数据)
化学和物理性质
溶解性
Solubility (25°C) In vitro DMSO: 67 mg/mL (201.56 mM); Ethanol: 67 mg/mL (201.56 mM); Water: Insoluble;
安全和危险性（GHS）
信号词
Warning
危险声明
H373: 通过长时间或反复暴露对器官造成损害
H411: 对水生生物有毒并具有长期持续影响
H361: 怀疑破坏生育力或未出生的孩子
预防措施声明
P273: 避免释放到环境中。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P405: 密闭存放
P501: 将内容物/容器处理到。。。
P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。
P391: 收集溢出物
P203: 使用前，获取、阅读并遵守所有安全说明。
P318: 如果暴露或担心，请就医。
P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany
3
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
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技术文档和文章
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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