4-(4-{[6-(6-chloro-pyrimidin-4-yloxy)-naphthalene-1-carbonyl]-amino}-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(4-{[6-(6-chloro-pyrimidin-4-yloxy)-naphthalene-1-carbonyl]-amino}-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: 6-(6-chloropyrimidin-4-yloxy)-naphthalene-1-carbonylamino (2-trifluoromethyl-benzyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester；Tert-butyl 4-[[4-[[6-(6-chloropyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate；tert-butyl 4-[[4-[[6-(6-chloropyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
• 化学式: C₃₂H₃₁ClF₃N₅O₄
• 分子量: 642.077
• InChiKey: MBMLJRAFKKWVET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96.9
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酰胺 、 4-(4-{[6-(6-chloro-pyrimidin-4-yloxy)-naphthalene-1-carbonyl]-amino}-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 4-(4-{[6-(6-acetylamino-pyrimidin-4-yloxy)-naphthalene-1-carbonyl]-amino}-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2006/59234

  摘要：

  公开号：
• 作为产物：
  描述：

  6-(6-chloropyrimidin-4-yloxy)-naphthalene-1-carbonyl chloride 、 tert-butyl 4-(4-amino-2-(trifluoromethyl)benzyl)piperazine-1-carboxylate 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 4-(4-{[6-(6-chloro-pyrimidin-4-yloxy)-naphthalene-1-carbonyl]-amino}-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/31265

  摘要：

  公开号：

文献信息

• BICYCLIC AMIDES AS KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1794149A2

  公开（公告）日：2007-06-13
• Bicyclic Amides as Kinase Inhibitors
  申请人：Bold Guido

  公开号：US20080287427A1

  公开（公告）日：2008-11-20

  The invention relates to compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising en a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in particular tumour diseases.
• TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES
  申请人：De Moor Olivier

  公开号：US20110237538A1

  公开（公告）日：2011-09-29

  Described are various compounds, in particular iminosugars, and methods for the treatment of proteostatic diseases, in particular lysosomal storage disorders. The compound may be a pharmacoperone of an enzyme selected from: (a) Acid alpha-glucosidase; (b) Acid beta-glucosidase; (c) glucocerebrosidase; (d) alpha-Galactosidase A; (e) Acid beta-galactosidase; (f) beta-Hexosaminidase A; (g) beta-Hexosaminidase B; (h) Acid sphingomyelinase; (i) Galactocerebrosidase; (j) Acid ceramidase; (k) Arylsulfatase A; (l) alpha-L-Iduronidase; (m) Iduronate-2-sulfatase; (n) Heparan N-sulfatase; (o) alpha-N-Acetylglucosaminidase; (p) Acetyl-CoA: alpha-glucosaminide N-acetyltransferase; (q) N-Acetylglucosamine-6-sulfate sulfatase; (r) N-Acetylgalactosamine-6-sulfate sulfatase; (s) Acid beta-galactosidase; (t) Arylsulfatase B; (u) beta-Glucuronidase; (v) Acid alpha-mannosidase; (w) Acid beta-mannosidase; (x) Acid alpha-L-fucosidase; (y) Sialidase; and (z) alpha-N-acetylgalactosaminidase.
• US8026247B2
  申请人：——

  公开号：US8026247B2

  公开（公告）日：2011-09-27
• [EN] BICYCLIC AMIDES AS KINASE INHIBITORS<br/>[FR] AMIDES BICYCLIQUES COMME INHIBITEURS DE KINASES
  申请人：NOVARTIS AG

  公开号：WO2006059234A2

  公开（公告）日：2006-06-08

  [EN] The invention relates to compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in particular tumour diseases.
  [FR] L'invention a trait à des composés représentés par la formule (I) et à l'utilisation de ceux-ci pour traiter un sujet animal ou humain, à des compositions pharmaceutiques comprenant un composé représenté par la formule I et à l'utilisation d'un composé représenté par la formule I pour préparer des compositions pharmaceutiques utiles dans le traitement de maladies dépendant des protéines kinases, notamment des maladies prolifératives telles que les tumeurs.