1-(异喹啉-5-基)乙醇 | 1204598-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 1-(异喹啉-5-基)乙醇
• 英文名称: 1-(isoquinolin-5-yl)ethanol
• 英文别名: 1-isoquinolin-5-ylethanol
• CAS: 1204598-85-5
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: SZJPIBMCTCQMAE-UHFFFAOYSA-N

物化性质

• 沸点：
  343.6±17.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(异喹啉-5-基)乙醇 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 18.67h， 生成 (R,S)-1-(1-(isoquinolin-5-yl)ethyl)piperidine-4-carboxylic acid
  参考文献：
  名称：

  X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

  摘要：

  Structure-guided design was used to generate a series of noncovalent inhibitors with nanomolar potency against the papain-like protease (PLpro) from the SARS coronavirus (CoV). A number of inhibitors exhibit antiviral activity against SARS-CoV infected Vero E6 cells and broadened specificity toward the homologous PLP2 enzyme from the human coronavirus NL63. Selectivity and cytotoxicity studies established a more than 100-fold preference for the coronaviral enzyme over homologous human deubiquitinating enzymes (DUBs), and no significant cytotoxicity in Vero E6 and HEK293 cell lines is observed. X-ray structural analyses of inhibitor-bound crystal structures revealed subtle differences between binding modes of the initial benzodioxolane lead (15g) and the most potent analogues 3k and 3j, featuring a monofluoro substitution at para and meta positions of the benzyl ring, respectively. Finally, the less lipophilic bis(amide) 3e and methoxypyridine 5c exhibit significantly improved metabolic stability and are viable candidates for advancing to in vivo studies.

  DOI：

  10.1021/jm401712t
• 作为产物：
  描述：

  异喹啉-5-甲醛 、 甲基碘化镁 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.0h， 以79%的产率得到1-(异喹啉-5-基)乙醇
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6
  [FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LA MODULATION DE NR2F6

  摘要：

  本公开涉及能够调节NR2F6活性的化合物。本公开的化合物可用于预防及/或治疗与调节NR2F6活性相关疾病和障碍的方法。

  公开号：

  WO2021170658A1

文献信息

• PDE-10 INHIBITORS
  申请人：Ripka Amy

  公开号：US20110178083A1

  公开（公告）日：2011-07-21

  Vicinal substituted cyclopropyl compounds which are inhibitors of phosphodiesterase 10 are described as are processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of mammals, including human(s) for central nervous system (CNS) disorders and other disorders which may affect CNS function, for example neurological, neurodegenerative and psychiatric disorders including, but not limited to, those comprising cognitive deficits or schizophrenic symptoms.

  本发明涉及取代邻位环丙基化合物，其为磷酸二酯酶10的抑制剂。本发明还涉及该化合物的制备方法、制药组合物、制药制剂以及在治疗哺乳动物中的制药用途，包括人类，用于中枢神经系统（CNS）疾病和其他可能影响CNS功能的疾病，例如神经、神经退行性和精神障碍，包括但不限于那些包括认知缺陷或精神分裂症状的疾病。
• PDE-10 inhibitors
  申请人：Ripka Amy

  公开号：US08481532B2

  公开（公告）日：2013-07-09

  Vicinal substituted cyclopropyl compounds which are inhibitors of phosphodiesterase 10 are described as are processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of mammals, including human(s) for central nervous system (CNS) disorders and other disorders which may affect CNS function, for example neurological, neurodegenerative and psychiatric disorders including, but not limited to, those comprising cognitive deficits or schizophrenic symptoms.

  本文描述了邻位取代的环丙基化合物，它们是磷酸二酯酶10的抑制剂，以及这些化合物的处理方法、制药组合物、制药制剂和在哺乳动物，包括人类中治疗中枢神经系统（CNS）疾病和其他可能影响CNS功能的疾病的制药用途，例如神经、神经退行性和精神障碍，包括但不限于那些包括认知缺陷或精神分裂症状的疾病。
• [EN] PDE-10 INHIBITORS<br/>[FR] INHIBITEURS DE PDE-10
  申请人：ENVIVO PHARMACEUTICALS INC

  公开号：WO2010006130A3

  公开（公告）日：2010-04-22
• NEW SMALL-MOLECULE PDE-10 INHIBITORS
  申请人：Envivo Pharmaceuticals, Inc.

  公开号：EP2318410A2

  公开（公告）日：2011-05-11
• HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6
  申请人：TES Pharma S.r.l.

  公开号：US20210323942A1

  公开（公告）日：2021-10-21

  The present disclosure relates to compounds capable of modulating the activity of NR2F6. The compounds of the disclosure may be used in methods for the prevention and/or the treatment of diseases and disorders associated with modulating NR2F6 activity.