6-(3-氯-丙氧基)-7-氟-2,3-二氢-异吲哚-1-酮 | 1007455-33-5

• 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
• 中文名称: 6-(3-氯-丙氧基)-7-氟-2,3-二氢-异吲哚-1-酮
• 英文名称: 6-(3-chloro-propoxy)-7-fluoro-2,3-dihydro-isoindol-1-one
• 英文别名: 1h-Isoindol-1-one,6-(3-chloropropoxy)-7-fluoro-2,3-dihydro-；6-(3-chloropropoxy)-7-fluoro-2,3-dihydroisoindol-1-one
• CAS: 1007455-33-5
• 化学式: C₁₁H₁₁ClFNO₂
• 分子量: 243.665
• InChiKey: SSBNKJYCZGBQHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-氟-6-羟基-2,3-二氢异吲哚-1-酮 、 1-溴-3-氯丙烷 生成 6-(3-氯-丙氧基)-7-氟-2,3-二氢-异吲哚-1-酮
  参考文献：
  名称：

  6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics

  摘要：

  A series of 6-alkoxyisoindolin-1-ones with a magic shotgun pharmacological profile are presented as potential antipsychotics. The in vitro pharmacological profile includes D-2 partial agonism (30-55%), 5-HT1A partial agonism (60-90%), and 5-HT2A antagonism. Selected compounds in this series displayed good in vivo activity and potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.023

文献信息

• WO2008/20306
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] ISOINDOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOINDOLE
  申请人：PFIZER PROD INC

  公开号：WO2008020306A2

  公开（公告）日：2008-02-21

  [EN] This invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, a process of making these compounds, pharmaceutical compositions containing one or more of these compounds or their salts, and their use for the treatment of schizophrenia, bipolar disorder, or other central nervous system disorders.
  [FR] La présente invention concerne des composés de formule (I) ou leurs sels pharmaceutiquement acceptables, un procédé de fabrication de ces composés, des compositions pharmaceutiques contenant un ou plusieurs de ces composés ou leurs sels et leur utilisation pour le traitement de la schizophrénie, du trouble bipolaire ou d'autres affections du système nerveux central.
• 6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics
  作者：David A. Favor、James J. Powers、Andrew D. White、Lawrence W. Fitzgerald、Vincent Groppi、Kevin A. Serpa

  DOI：10.1016/j.bmcl.2010.08.023

  日期：2010.10

  A series of 6-alkoxyisoindolin-1-ones with a magic shotgun pharmacological profile are presented as potential antipsychotics. The in vitro pharmacological profile includes D-2 partial agonism (30-55%), 5-HT1A partial agonism (60-90%), and 5-HT2A antagonism. Selected compounds in this series displayed good in vivo activity and potency. (C) 2010 Elsevier Ltd. All rights reserved.