2-[[1-[2-(4-Tolyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindolin-1-one | 359627-57-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[1-[2-(4-Tolyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindolin-1-one
• 英文别名: 2-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
• CAS: 359627-57-9
• 化学式: C₂₃H₂₆N₂O₂
• 分子量: 362.472
• InChiKey: DAEIKFKCQIWFQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Novel cyclic amide derivatives
  申请人：——

  公开号：US20030212094A1

  公开（公告）日：2003-11-13

  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: 1 wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by —CH 2 —, —CO—, —O—, —CH(OR 7 )— or the like wherein R 7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R 1 and R 2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: 2 wherein R 3 , R 4 , R 5 , and R 6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: 3 represents an aromatic heterocyclic ring.

  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。
• COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA
  申请人：MINERVA NEUROSCIENCES, INC.

  公开号：US20160152597A1

  公开（公告）日：2016-06-02

  The disclosure provides a novel polymorph of Compound (I): 2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)isoindolin-1-one monohydrochloride dihydrate, i.e., Form (A) of Compound (I).HCl.2H 2 O. Pharmaceutical compositions comprising Form (A) of Compound (I).HCl.2H 2 O and related methods of treatment are also disclosed.

  本披露提供了化合物(I)的新型多形态：2-((1-(2-(4-氟苯基)-2-氧代乙基)哌啶-4-基)甲基)异吲哚啉-1-酮单盐酸盐二水合物，即化合物(I)的A型。此外，还披露了包含化合物(I)的A型盐酸盐二水合物的制药组合物和相关治疗方法。
• 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。
• USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SLEEP DISORDERS
  申请人：Minerva Neurosciences, Inc.

  公开号：EP3335731A1

  公开（公告）日：2018-06-20

  Disclosed herein are compositions and methods for treating schizophrenia and symptoms of schizophrenia, including negative symptoms of schizophrenia.

  本文公开了用于治疗精神分裂症和精神分裂症症状（包括精神分裂症的阴性症状）的组合物和方法。
• METHODS OF USE CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR-MEDIATED DISORDERS
  申请人：Minerva Neurosciences, Inc.

  公开号：EP4070794A2

  公开（公告）日：2022-10-12

  Disclosed herein are compositions and methods for treating a sigma-2 receptor- mediated condition or disorder, including treating one or more symptoms of a sigma-2 receptor-mediated condition or disorder.

  本文公开了用于治疗σ-2受体介导的病症或紊乱的组合物和方法，包括治疗σ-2受体介导的病症或紊乱的一种或多种症状。