3-[1-(2-phenylethyl)piperidin-3-ylmethyl]-2-phenyl-1H-indole hydrogen oxalate | 256446-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[1-(2-phenylethyl)piperidin-3-ylmethyl]-2-phenyl-1H-indole hydrogen oxalate
• 英文别名: oxalic acid;2-phenyl-3-[[1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-indole
• CAS: 256446-22-7
• 化学式: C₂H₂O₄*C₂₈H₃₀N₂
• 分子量: 484.595
• InChiKey: CUXZLSVCRLQUOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-phenyl-3-(piperidin-3-ylmethyl)-1H-indole 、 乙基溴苯 在 白碳黑 potassium carbonate 作用下， 以 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 、 氨 、 异丙醇 为溶剂， 以510 mg (1.1 mmol; 31%)的产率得到3-[1-(2-phenylethyl)piperidin-3-ylmethyl]-2-phenyl-1H-indole hydrogen oxalate
  参考文献：
  名称：

  Phenylindole derivatives as 5-ht2a receptor ligands

  摘要：

  根据式（I）的化合物或其盐是选择性拮抗剂，可用于治疗中枢神经系统的不良症状，特别是人类5-HT2A受体的拮抗剂。

  公开号：

  US06479480B1

文献信息

• US6479480B1
  申请人：——

  公开号：US6479480B1

  公开（公告）日：2002-11-12
• [EN] PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS<br/>[FR] DERIVES DE PHENYLINDOLE EN TANT QUE LIGANDS DU RECEPTEUR 5-HT2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2000005229A1

  公开（公告）日：2000-02-03

  Compounds of formula (I), or a salt thereof, wherein A and B independently represent hydrogen, halogen, cyano, nitro, trifluoromethyl, trifluoromethoxy, C1-6 alkyl or C1-6 alkoxy; X and Y independently represent hydrogen, halogen, trifluoromethyl, trifluoromethoxy, C1-6 alkyl, C1-6 alkoxy or phenyl; and Q represents a substituted five-, six- or seven-membered monocyclic heteroaliphatic ring containing one nitrogen atom and optionally one other heteroatom selected from oxygen, sulphur and nitrogen; or Q represents a substituted 6- to 11-membered bicyclic heteroaliphatic ring system which contains one nitrogen atom as the sole heteroatom; the moiety Q being linked to the remainder of the molecule via a carbon atom are selective antagonists of the humain 5-HT2A receptor and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of adverse conditions of the central nervous system, including psychotic disorders such as schizophrenia.
• Phenylindole derivatives as 5-ht2a receptor ligands
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06479480B1

  公开（公告）日：2002-11-12

  Compounds according to Formula (I) or a salt thereof are selective antagonists of the human 5-HT2A receptor useful for treatment of adverse conditions of the central nervous system:

  根据式（I）的化合物或其盐是选择性拮抗剂，可用于治疗中枢神经系统的不良症状，特别是人类5-HT2A受体的拮抗剂。