4-[2-(4-Benzylpiperidin-1-yl)-1-hydroxyethyl]phenol | 49612-87-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[2-(4-Benzylpiperidin-1-yl)-1-hydroxyethyl]phenol
• CAS: 49612-87-5
• 化学式: C₂₀H₂₅NO₂
• 分子量: 311.424
• InChiKey: LEXCUYJOSMWKSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-Benzylpiperidin-1-yl)-1-(4-hydroxyphenyl)ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以88%的产率得到4-[2-(4-Benzylpiperidin-1-yl)-1-hydroxyethyl]phenol
  参考文献：
  名称：

  Reactive derivatives for affinity labeling in the ifenprodil site of NMDA receptors

  摘要：

  To prepare thiol-reactive ifenprodil derivatives designed as potential probes for cysteine-substituted NR2B containing NMDA receptors, electrophilic centers were introduced in different areas of the ifenprodil structure. Intermediates and final compounds were evaluated by binding studies and by electrophysiology to determine the structural requirements for their selectivity. The reactive compounds were further tested for their stability and for their reactivity in model reactions; some were found suitable as structural probes to investigate the binding site and the docking mode of ifenprodil in the NR2B subunit. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.019

文献信息

• SUBSTITUTED INDOLES
  申请人：SCHADT Oliver

  公开号：US20090291963A1

  公开（公告）日：2009-11-26

  Substituted indoles of the formula (I) and physiologically acceptable derivatives and salts thereof, in which R 1 , D, E, R 12 , p, X 1 , E, G, X 2 and Z are as defined in claim 1 , exhibit particular actions on the central nervous system, especially 5HT reuptake-inhibiting and 5 HTx-agonistic and/or -antagonistic actions and in particular serotonin-agonistic and -antagonistic properties and can be employed as antipsychotics, neuroleptics, antidepressants, anxiolytics and/or antihypertonics. They can furthermore be employed as excitatory amino acid antagonists for combating neurodegenerative diseases, including cerebrovascular diseases, epilepsy, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's disease, cerebral ischaemia, infarction or psychoses

  公式（I）的取代吲哚及其生理上可接受的衍生物和盐，其中R1，D，E，R12，p，X1，E，G，X2和Z的定义如权利要求1所述，表现出对中枢神经系统的特定作用，特别是5HT再摄取抑制和5HTx-激动和/或-拮抗作用，并且具有特别的血清素激动和拮抗特性，可以用作抗精神病药，神经类药物，抗抑郁药，抗焦虑药和/或降压药。此外，它们还可以用作兴奋性氨基酸拮抗剂，以对抗神经退行性疾病，包括脑血管疾病，癫痫，精神分裂症，阿尔茨海默病，帕金森病，亨廷顿病，脑缺血，梗塞或精神病。
• CYCLISCHE AMIDE
  申请人：Merck Patent GmbH

  公开号：EP1485363B1

  公开（公告）日：2008-10-08
• SUBSTITUIERTE INDOLE UND DEREN VERWENDUNG ALS 5HT-WIEDERAUFNAHME INHIBITOREN UND ALS 5HT LIGANDEN
  申请人：Merck Patent GmbH

  公开号：EP1497279B1

  公开（公告）日：2011-03-09
• Substituted indoles
  申请人：Schadt Oliver

  公开号：US20090054459A1

  公开（公告）日：2009-02-26

  Substituted indoles of the formula (I) and physiologically acceptable derivatives and salts thereof, in which R 1 , D, E, R 12 , p, X 1 , E, G, X 2 and Z are as defined in claim 1 , exhibit particular actions on the central nervous system, especially 5HT reuptake-inhibiting and 5 HTx-agonistic and/or -antagonistic actions and in particular serotonin-agonistic and -antagonistic properties and can be employed as antipsychotics, neuroleptics, antidepressants, anxiolyties and/or antihypertonics. They can furthermore be employed as excitatory amino acid antagonists for combating neurodegenerative diseases, including cerebrovascular diseases, epilepsy, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's disease, cerebral ischaemia, infarction or psychoses
• US7572796B2
  申请人：——

  公开号：US7572796B2

  公开（公告）日：2009-08-11