CAS: 1373038-60-8; 4-(5-Methyl-3-Phenylisoxazol-4-yl)-N-((4-(5-Methyl-3-Phenylisoxazol-4-yl)Phenyl)Sulfonyl)Benzenesulfonamide

该化合物是药剂Valdecoxib(一种选择性的COX-2抑制剂,用于缓解疼痛和防炎目的)的化学化合物;作为一种杂质,它可能在Valdecoxib合成或降解期间产生,其典型特征是分子结构,可能与母体化合物略有不同;Valdecoxib 杂质B等杂质常常因其对药物安全和功效的潜在影响而得到评估.这种杂质的特点可包括其溶性,稳定性和再活性,对于了解其在药物配方中的行为至关重要.HPLC(高效液色谱)和质量光谱分析法等分析技术通常用于识别和量化药物物质的杂质.监管准则规定必须对杂质进行定性和控制,以确保药品的质量和安全.

英文名称4-(5-Methyl-3-Phenylisoxazol-4-yl)-N-((4-(5-Methyl-3-Phenylisoxazol-4-yl)Phenyl)Sulfonyl)Benzenesulfonamide
中文名称伐地昔布杂质B
IUPAC名称4-(5-methyl-3-phenylisoxazol-4-yl)-N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)benzenesulfonamide
其它别名Valdecoxib Dimer,Valdecoxib Impurity B; 4-(5-Methyl-3-Phenylisoxazol-4-yl)-N-((4-(5-Methyl-3-Phenylisoxazol-4-yl)Phenyl)Sulfonyl)Benzenesulfonamide; N-[4-(5-Methyl-3-Phenyl-4-Isoxazolyl)Benzenesulfonyl]-4-(5-Methyl-3-Phenyl-4-Isoxazolyl)Benzenesulfonamide; Valdecoxib Dimer; Valdecoxib Impurity B; Valdecoxib Impurity-B(Valdecoxib Dimer); Benzenesulfonamide, 4-(5-Methyl-3-Phenyl-4-Isoxazolyl)-N-[[4-(5-Methyl-3-Phenyl-4-Isoxazolyl)Phenyl]Sulfonyl]-; Parecoxib Sodium Impurity 13
CAS编号1373038-60-8
MFCD编号:MFCD30145636
分子式:C32H25N3O6S2
分子量:611.69
产品CID: 579648
产品分类分析化学 → 对照品

相似结构搜索
InChIKey: FDUYPVXQEAKTGG-UHFFFAOYSA-N
FDUYPVXQEAKTGG-UHFFFAOYSA-N…
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数8.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338

上下游产品

伐地考昔 Valdecoxib 181695-72-7
4-(5-甲基-3-苯基异噁唑-4-基)苯磺酰氯 4-(5-Methyl-3-Phenylisoxazol-4-yl)Benzenesulfonyl Chloride 509074-26-4
5-甲基-3,4-二苯基异噁唑 5-Methyl-3,4-Diphenyl Isoxazole 37928-17-9

合成工艺路线路线简述

合成目标产物 Valdecoxib Impurity B 主要起始原料 5-Methyl-3,4-Diphenylisoxazole
(文献来源)合成步骤主要原料 5-Methyl-3,4-Diphenylisoxazole

5-甲基-3,4-二苯基异噁唑置于吡啶,氯磺酸体系中,用二氯甲烷用作溶剂,化学反应 10.0H,反应生成戊地昔布杂质b
参考文献:Application Of [3 + 2]-Cycloaddition In The Synthesis Of Valdecoxib
标题:Application Of [3 + 2]-Cycloaddition In The Synthesis Of Valdecoxib
摘要:A Large Scale Synthesis Of Valdecoxib 1 Is Described. Our Work Features Potential Application Of [3+2]-Dipolar Cycloaddition Involving Enamine And In Situ-Generated Nitrile Oxide Derivatives.
Doi:10.1080/00397911.2010.528572