CAS: 936563-92-7; 1-(4-(4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-yl)Piperidin-1-yl)Prop-2-En-1-One (Ibrutinib Impurity)

• 英文名称1-(4-(4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-yl)Piperidin-1-yl)Prop-2-En-1-One (Ibrutinib Impurity)
• 中文名称依鲁替尼杂质11
• IUPAC名称1-(4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
• 其它别名1-[4-[4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]-1-Piperidinyl]-2-Propen-1-One; 1-[4-[4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]-1-Piperidinyl]-2-Propen-1-One/ibrutinib Impurity; 1-(4-(4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-yl)Piperidin-1-yl)Prop-2-En-1-One; Ibrutinib Impurity Wzyg; Ibrutinib Impurity 01; 1-(1-Acryloylpiperidin-4-yl)-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine; 1-(4-(4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-yl)Piperidin-1-yl)Prop-2-En-1-One (Ibrutinib Impurity); 2-Propen-1-One, 1-[4-[4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]-1-Piperidinyl]-
• CAS编号936563-92-7
• MFCD编号:MFCD28129893
• FDA UNII编号:6F2N4XGL8K
• 分子式:C25H24N6O2分子量:440.51
• 产品CID: 1976406
• 产品分类有机原料 → 苯类化合物 → 苯和取代衍生物

• 相似结构搜索
• InChIKey: KALPRSFUZYGTNU-UHFFFAOYSA-N
• InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
• 计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数5.0

物理性质

• LogP:3.6
• 外观形态白色至类白色固体
• 储存条件2-8°C, 避光

MSDS等安全信息

• 警示词warning
• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
• 💡 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