4-[4-bromo-5-methoxycarbonyl-2-(2-trifluoromethyl-phenoxymethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester | 474330-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[4-bromo-5-methoxycarbonyl-2-(2-trifluoromethyl-phenoxymethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[4-bromo-5-methoxycarbonyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 474330-57-9
• 化学式: C₂₆H₂₇BrF₃NO₅
• 分子量: 570.403
• InChiKey: ZNFJDLBKCGBAKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[4-bromo-5-methoxycarbonyl-2-(2-trifluoromethyl-phenoxymethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 、 3-呋喃硼酸 、 Tripotassium;phosphate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride SiO2 、 乙酸乙酯 、 正己烷 作用下， 以 乙二醇二甲醚 为溶剂， 反应 16.0h， 以gave 4-[4-furan-3-yl-5-methoxycarbonyl-2-(2-trifluoromethyl-phenoxymethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (0.2379 g, 82%)的产率得到4-[4-furan-3-yl-5-methoxycarbonyl-2-(2-trifluoromethyl-phenoxymethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Inhibitors of bace

  摘要：

  本发明涉及天冬氨酸蛋白酶的抑制剂，特别是BACE。本发明还涉及其组成物和方法，用于抑制哺乳动物中BACE的活性，并用于治疗阿尔茨海默病和其他BACE介导的疾病。

  公开号：

  US20030095958A1

文献信息

• INHIBITORS OF BACE
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1389194A2

  公开（公告）日：2004-02-18
• AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1435948A1

  公开（公告）日：2004-07-14
• [EN] INHIBITORS OF BACE<br/>[FR] INHIBITEURS DE BACE
  申请人：VERTEX PHARMA

  公开号：WO2002088101A2

  公开（公告）日：2002-11-07

  The present invention relates to inhibitors of aspartic proteinases, particularly, BACE. The present invention also relates to compositions thereof and methods therewith for inhibiting BACE activity in a mammal, and for treating Alzheimer's Disease and other BACE-mediated diseases.
• [EN] AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'AMINOISOXAZOLE AGISSANT COMME INHIBITEURS DE LA KINASE
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2003013517A1

  公开（公告）日：2003-02-20

  Compounds (I) which are aminoisoxazole derivatives or pharmaceutically acceptable salts thereof, together with pharmaceutical compositions comprising them are disclosed; these compounds or compositions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, auto-immune diseases and neurodegenerative disorders.
• Inhibitors of bace
  申请人：——

  公开号：US20030095958A1

  公开（公告）日：2003-05-22

  The present invention relates to inhibitors of aspartic proteinases, particularly, BACE. The present invention also relates to compositions thereof and methods therewith for inhibiting BACE activity in a mammal, and for treating Alzheimer's Disease and other BACE-mediated diseases.

  本发明涉及天冬氨酸蛋白酶抑制剂，特别是BACE。本发明还涉及其组合物和方法，用于在哺乳动物中抑制BACE活性，并用于治疗阿尔茨海默病和其他BACE介导的疾病。