4-hydroxy-4'-o-tolyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-hydroxy-4'-o-tolyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
• 英文别名: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-hydroxypiperidin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
• 化学式: C₂₈H₂₇F₆N₃O₂
• 分子量: 551.532
• InChiKey: QZCGOXXOGYPNLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-羟基哌啶 、 4-二甲氨基吡啶 、 N-(3,5-bis-trifluoromethyl-benzyl)-6-chloro-N-methyl-4-o-tolyl-nicotinamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 以9.0 g (80%)的产率得到4-hydroxy-4'-o-tolyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
  参考文献：
  名称：

  Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors

  摘要：

  这项发明是一种杂环芳基取代酰胺，显示对神经激肽1（NK-1，物质P）受体的拮抗活性。

  公开号：

  US20020038030A1

文献信息

• METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY
  申请人：Hoffmann Torsten

  公开号：US20110053954A1

  公开（公告）日：2011-03-03

  The invention relates to a method of treatment and/or prevention of brain, spinal or nerve injury comprising administration to a person in need of such treatment, of a therapeutically effective amount of an NK-1 receptor antagonist compound of the formula wherein the meanings of R, R 1 , R 2 , R 2 ′, R 3 , and R 4 are explained in the specification and the pharmaceutically acceptable acid addition salts and the prodrugs thereof either alone or in combination with a magnesium salt. Exemplified is the use of N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide. The invention also relates to pharmaceutical composition comprising one or more such NK-1 receptor antagonists, optionally in combination with a magnesium salt, and a pharmaceutically acceptable excipient for the treatment and/or prevention of brain, spinal or nerve injury.