5-isopropyl-2-methoxy-4-(trifluoromethyl)pyrimidine | 374627-57-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-isopropyl-2-methoxy-4-(trifluoromethyl)pyrimidine
• 英文别名: 2-Methoxy-4-(trifluoromethyl)-5-isopropylpyrimidine；2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyrimidine
• CAS: 374627-57-3
• 化学式: C₉H₁₁F₃N₂O
• 分子量: 220.194
• InChiKey: ZSFGFNCUHFHNRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-isopropyl-2-methoxy-4-(trifluoromethyl)pyrimidine 在 硫酸氢铵 、 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 反应 51.0h， 生成 Trimethyl-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]oxysilane
  参考文献：
  名称：

  Synthesis of some cyclic and acyclic nucleoside analogues derived from 4-(trifluoromethyl)pyrimidines

  摘要：

  Cyclic nucleoside analogues 10, 11, 13b-d and 17 and acyclic derivatives 19 and 20b-d were prepared from 4-trifluoromethyl-pyrimidones 4a and 5b-d. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00721-9
• 作为产物：
  描述：

  N,N-Diethyl-3-methyl-1-butenylamin 在 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 23.0h， 生成 5-isopropyl-2-methoxy-4-(trifluoromethyl)pyrimidine
  参考文献：
  名称：

  Synthesis of some cyclic and acyclic nucleoside analogues derived from 4-(trifluoromethyl)pyrimidines

  摘要：

  Cyclic nucleoside analogues 10, 11, 13b-d and 17 and acyclic derivatives 19 and 20b-d were prepared from 4-trifluoromethyl-pyrimidones 4a and 5b-d. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00721-9

文献信息

• PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Dotson Jennafer

  公开号：US20120035208A1

  公开（公告）日：2012-02-09

  Compounds of Formula (I), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer or inflammation mediated by lipid kinases. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  具有化学式（I）的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，对于抑制脂质激酶包括p110α和其他PI3K同源物的活性非常有用，用于治疗由脂质激酶介导的癌症或炎症等疾病。本文披露了使用化合物（I）进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这些疾病，或相关病理条件的方法。
• US8653098B2
  申请人：——

  公开号：US8653098B2

  公开（公告）日：2014-02-18
• Synthesis of some cyclic and acyclic nucleoside analogues derived from 4-(trifluoromethyl)pyrimidines
  作者：Hatice Berber、Mustapha Soufyane、Catherine Mirand、Sylvie Schmidt、Anne-Marie Aubertin

  DOI：10.1016/s0040-4020(01)00721-9

  日期：2001.8

  Cyclic nucleoside analogues 10, 11, 13b-d and 17 and acyclic derivatives 19 and 20b-d were prepared from 4-trifluoromethyl-pyrimidones 4a and 5b-d. (C) 2001 Elsevier Science Ltd. All rights reserved.