(R,S)-2-[[1-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]isoindolin-1-one | 359626-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (R,S)-2-[[1-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]isoindolin-1-one
• 英文别名: 2-[[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
• CAS: 359626-13-4
• 化学式: C₂₂H₂₅FN₂O₂
• 分子量: 368.451
• InChiKey: SHKRBEIDPLZYHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[[1-[2-(4-氟苯基)-2-氧代乙基]-4-哌啶基]甲基]-2,3-二氢-1H-异吲哚-1-酮盐酸盐 在 sodium hydroxide 、 sodium borohydrid 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (R,S)-2-[[1-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]isoindolin-1-one
  参考文献：
  名称：

  Novel cyclic amide derivatives

  摘要：

  以下公式（I）表示的新化合物作为sigma受体/结合位点的配体，并包括作为活性成分的药物： 其中X代表烷基、芳基、杂环基或类似基团；Q代表由—CH 2 —、—CO—、—O—、—CH(OR 7 )—或类似基团表示的基团，其中R 7 代表氢原子、烷基或类似基团；n代表从0到5的整数；R 1 和R 2 各自代表氢原子、烷基或类似基团；B代表以下任一基团： 其中R 3 、R 4 、R 5 和R 6 各自代表氢原子、卤素原子、烷氧基或类似基团；m代表1或2；以及： 代表芳香杂环环。

  公开号：

  US20030212094A1

文献信息

• NOVEL CYCLIC AMIDE DERIVATIVES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1260512A1

  公开（公告）日：2002-11-27

  Novel compounds represented by the following formula (I) that act as a ligand to sigma receptor/binding cite and a medicament comprising the same as an active ingredient: wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by -CH2-, -CO-, -O-, -CH(OR7)- or the like wherein R7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R1 and R2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: wherein R3, R4, R5, and R6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: represents an aromatic heterocyclic ring.

  由下式(I)代表的可作为σ受体/结合引物的配体的新型化合物以及以其为有效成分的药物： 其中 X 代表烷基、芳基、杂环基或类似基团； Q 代表-CH2-、-CO-、-O-、-CH(OR7)-或类似基团，其中 R7 代表氢原子、烷基或类似基团； n 代表 0 至 5 的整数； R1 和 R2 各自代表氢原子、烷基或类似基团； B 代表以下任一基团： 其中 R3、R4、R5 和 R6 各自代表氢原子、卤素原子、烷氧基或类似基团；m 代表 1 或 2；环的： 代表芳香杂环。
• Compounds and methods of use to treat schizophrenia
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US10179776B2

  公开（公告）日：2019-01-15

  The invention relates to particular 2-((1-(2-hydroxy-2-phenylethyl)piperidin-4-yl)methyl)isoindolin-1-one analogs and pro-drugs, in free, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases that can be therapeutically and/or preventively treated by the nerve control function of sigma ligands.

  本发明涉及本文所述的游离形式、药学上可接受的盐和/或实质上纯的特定 2-((1-(2-羟基-2-苯基乙基)哌啶-4-基)甲基)异吲哚啉-1-酮类似物和原药、其药物组合物以及用于治疗可通过σ配体的神经控制功能进行治疗和/或预防的疾病的方法。
• COMPOUNDS AND METHODS OF USE TO TREAT SCHIZOPHRENIA
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US20170114037A1

  公开（公告）日：2017-04-27

  The invention relates to particular 2-((1-(2-hydroxy-2-phenylethyl)piperidin-4-yl)methyl)isoindolin-1-one analogs and pro-drugs, in free, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases that can be therapeutically and/or preventively treated by the nerve control function of sigma ligands.
• GASTRO-RESISTANT CONTROLLED RELEASE ORAL DOSAGE FORMS
  申请人：Minerva Neurosciences, Inc.

  公开号：US20190038561A1

  公开（公告）日：2019-02-07

  This disclosure relates to gastro-resistant, controlled release dosage forms comprising Compound (I): or a pharmaceutically acceptable salt and/or solvate thereof, the pharmacokinetic properties of these dosage forms, and the preparation of the same. The novel dosage forms disclosed herein are useful in reducing the risk of QT prolongation in a subject and in treating a disorder in a subject in need thereof, e.g., a subject diagnosed with schizophrenia, for example, in treating the negative symptoms in a subject diagnosed with schizophrenia having the CYP2D6 EM genotype.
• US7166617B2
  申请人：——

  公开号：US7166617B2

  公开（公告）日：2007-01-23