CAS: 1639137-80-6; (E)-2-((1-Acetyl-3-(2-(Pyridin-2-yl)Vinyl)-1H-Indazol-6-yl)Thio)-N-Methylbenzamide (Axitinib Impurity)

该化合物是一种化学化合物,被公认为与药剂Axitinib有关的杂质,主要用于癌症治疗,特别是肾脏细胞癌.虽然Axitinib 杂质27的具体详细特性可能没有广泛记载,但制药化合物的杂质通常具有不同溶剂溶性,潜在生物活动和不同的光谱特征等特性.杂质的存在可能影响主要药物的功效和安全,使其特征在药物开发中变得至关重要.高性能液体色谱学(HPLC),质量光谱学(MS)和核磁共振谱(NMR)光谱学等分析技术往往被用来识别和量化此类杂质.了解Axitinib 杂质27等杂质特征对于确保药品的质量和监管合规至关重要.

英文名称(E)-2-((1-Acetyl-3-(2-(Pyridin-2-yl)Vinyl)-1H-Indazol-6-yl)Thio)-N-Methylbenzamide (Axitinib Impurity)
中文名称(E)-2-((1-乙酰基-3-(2-(吡啶-2-基)乙烯基)-1H-吲唑-6-基)硫代)-N-甲基苯甲酰胺(阿西替尼杂质)
IUPAC名称(E)-2-((1-acetyl-3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)-N-methylbenzamide
其它别名阿西替尼杂质27; (E)-2-((1-乙酰基-3-(2-(吡啶-2-基)乙烯基)-1H-吲唑-6-基)硫代)-N-甲基苯甲酰胺(阿西替尼杂质); N-Acetyl Axitinib
CAS编号1639137-80-6
FDA UNII编号:AHG4UV8V58
分子式:C24H20N4O2S分子量:428.51
产品CID: 832820
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

相似结构搜索
InChIKey: DPCLTPPDTUVUIL-JLHYYAGUSA-N
InChI=1S/C24H20N4O2S/c1-16(29)28-22-15-18(31-23-9-4-3-8-20(23)24(30)25-2)11-12-19(22)21(27-28)13-10-17-7-5-6-14-26-17/h3-15H,1-2H3,(H,25,30)/b13-10+
计算化学: 氢键受体数6.0氢键供体数1可旋转键数5

相似化合物

1639138-00-3 1443118-72-6 1428728-84-0

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

上下游产品

6-Iodo-1H-indazole 2-{(1H-indazol-6-yl)thio}-N-methylbenzamide 2-((3-iodo-1H-indazol-6-yl)thio)-N-methylbenzamide 2-vinylpyridineaxitinib

合成工艺路线路线简述

📜2-巯基-N-甲基苯甲酰胺置于tris-(Dibenzylideneacetone)Dipalladium(0),碘,Palladium Diacetate,碳酸氢钠,N,N-二异丙基乙胺,4,5-双二苯基膦-9,9-二甲基氧杂蒽,Potassium Hydroxide体系中,用 N-甲基吡咯烷酮,水用作溶剂,化学反应 9.0H,反应生成阿西替尼杂质j
参考文献:Development Of An Efficient Pd-Catalyzed Coupling Process For Axitinib
标题:Development Of An Efficient Pd-Catalyzed Coupling Process For Axitinib
摘要:The Manufacturing Process Of Axitinib (1) Involves Two Pd-Catalyzed Coupling Reactions,A Migita Coupling And A Heck Reaction. Optimization Of Both Of These Pivotal Bond-Formation Steps Is Discussed As Well As The Approach To Control Impurities In Axitinib. Essential To The Control Strategy Was The Optimization Of The Heck Reaction To Minimize Formation Of Impurities,In Addition To The Development Of An Efficient Isolation Of Crude Axitinib To Purge Impurities.
Doi:10.1021/op400088K