CAS: 938082-57-6; 4-Methyl-1-(4-((4-Methyl-3-((4-(Pyridin-3-yl)Pyrimidin-2-yl)Amino)Phenyl)Carbamoyl)Benzyl)Piperazine 1-Oxide

• 英文名称4-Methyl-1-(4-((4-Methyl-3-((4-(Pyridin-3-yl)Pyrimidin-2-yl)Amino)Phenyl)Carbamoyl)Benzyl)Piperazine 1-Oxide
• 中文名称伊马替尼(哌啶)-1-氧化物
• IUPAC名称4-methyl-1-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazine 1-oxide
• 其它别名1-Oxide Imatinib; 4-[(4-Methyl-1-Oxido-1-Piperazinyl)Methyl]-N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]Benzamide; Imatinib Related Substance C; Imatinib Beta Impurity E; Imatinib (Piperidine)-1-Oxide; Imatinib (Piperidine)-N4-Oxide; Imatinib-Piperidine-1-N-Oxide (Under Development); 4-[(4-Methyl-1-Oxidopiperazin-1-Ium-1-yl)Methyl]-N-[4-Methyl-3-[(4-Pyridin-3-Ylpyrimidin-2-yl)Amino]Phenyl]Benzamide
• CAS编号938082-57-6
• MFCD编号:MFCD24387109
• FDA UNII编号:AA66Z5QJ8H
• 分子式:C29H31N7O2分子量:509.61
• 产品CID: 1980034
• 产品分类原料药 → 抗肿瘤药 → 替尼类抗肿瘤药

• 相似结构搜索
• InChIKey: JOLLULXEPUYESM-UHFFFAOYSA-N
• InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36(38)16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数7.0

物理性质

• 熔点>145°C (分解)
• PSA:112.47
• LogP:4.6456
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态淡黄色至黄色固体
• 储存条件防潮, -20°C 冰箱, 在惰性气其中

MSDS等安全信息

• 警示词Danger
• 危险描述H341-H351-H360-H362-
• 防范说明P201-P202-P260-P263-P264-P270-P308+P313-P405-P501-

合成工艺路线路线简述

• 152459-95-5 = 938082-57-6
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Dimethylformamide,Water; 30 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 7 - 8
  标题:Synthesis Of Related Substances Of Imatinib Mesylate
  作者:Wu,Lihong; He,Yuan; Zhang,Yanqiao; Zhang,Sujuan; Wang,Baowei
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2011 卷标:42(10) 页码:728-731

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2921211000-乙二胺
  2933310010-吡啶
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管