6-hydroxy-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide | 890129-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-hydroxy-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
• 英文别名: 6-hydroxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
• CAS: 890129-97-2
• 化学式: C₁₈H₁₂F₃NO₂
• 分子量: 331.294
• InChiKey: FOIRPAYZQZURKF-UHFFFAOYSA-N

物化性质

• 沸点：
  398.7±42.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氯吡啶-2-甲酸甲酯 、 6-hydroxy-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 120.0h， 生成 4-[5-(3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyridine-2-carboxylic acid butyl ester
  参考文献：
  名称：

  WO2006/59234

  摘要：

  公开号：
• 作为产物：
  描述：

  间氨基三氟甲苯 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 49.58h， 生成 6-hydroxy-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
  参考文献：
  名称：

  WO2007/31265

  摘要：

  公开号：

文献信息

• Pharmaceutical Compositions and Solid Forms
  申请人：BERGHAUSEN Joerg

  公开号：US20110112121A1

  公开（公告）日：2011-05-12

  The present invention relates to pharmaceutical compositions of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide, to the use of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide and compositions of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide in therapeutic applications, especially indications with a dysregulation/overexpression of VEFG, (neo)-vascularisation and VEGF driven angiogenesis and to methods for manufacturing such compositions, the invention further relates to specific forms of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide and to the manufacturing and use of such forms. The present invention also relates to a new process to produce 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide.

  本发明涉及6-(6-羟甲基嘧啶-4-氧基)-萘-1-羧酸(3-三氟甲基苯基)-酰胺的药物组合物，以及使用6-(6-羟甲基嘧啶-4-氧基)-萘-1-羧酸(3-三氟甲基苯基)-酰胺和6-(6-羟甲基嘧啶-4-氧基)-萘-1-羧酸(3-三氟甲基苯基)-酰胺的组合物在治疗应用中，尤其是在VEGF的失调/过度表达、(新生)血管生成和VEGF驱动的血管生成方面的适应症，并且涉及制造此类组合物的方法，本发明还涉及6-(6-羟甲基嘧啶-4-氧基)-萘-1-羧酸(3-三氟甲基苯基)-酰胺的特定形式以及制造和使用此类形式的方法。本发明还涉及一种生产6-(6-羟甲基嘧啶-4-氧基)-萘-1-羧酸(3-三氟甲基苯基)-酰胺的新工艺。
• US8026247B2
  申请人：——

  公开号：US8026247B2

  公开（公告）日：2011-09-27
• [EN] PHARMACEUTICAL COMPOSITIONS AND SOLID FORMS<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET FORMES SOLIDES
  申请人：NOVARTIS AG

  公开号：WO2011003858A2

  公开（公告）日：2011-01-13

  The present invention relates to pharmaceutical compositions of 6-(6-hydroxymethyl- pyrimidin-4-yloxy)-naphthalene-1-carboxyfic acid (3-trifluoromethyl-phenyl)-amide, to the use of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthatene-1-carboxylic acid (3-trifluoromethyI- phenyl)-amide and compositions of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-naphthalene-1- carboxylic acid (3-trifluoromethyi-phenyi)-amide in therapeutic applications, especially indications with a dysregulation/overexpression of VEFG, (neo)-vascularisation and VEGF driven angiogenesis and to methods for manufacturing such compositions, the invention further relates to specific forms of 6-(6-hydroxymethyl-pyrimidin-4-yloxy)-πaphthalene-1- carboxyiic acid (3-trifluαromethyl-phenyl)-amide and to the manufacturing and use of such forms. The present invention also relates to a new process to produce 6-6-hydroxymethyl- pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide.
• WO2007/31265
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2006/59234
  申请人：——

  公开号：——

  公开（公告）日：——