5,6-O-去甲基多奈哌齐 | 220170-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 5,6-O-去甲基多奈哌齐
• 英文名称: 2-[(1-Benzylpiperidin-4-yl)methyl]-5,6-dihydroxy-2,3-dihydro-1H-inden-1-one
• 英文别名: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dihydroxy-2,3-dihydroinden-1-one
• CAS: 220170-71-8
• 化学式: C₂₂H₂₅NO₃
• 分子量: 351.4
• InChiKey: UJEPFLUMZAEBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

代谢

5,6-O-二脱甲基多奈哌齐已知的人类代谢物包括(2S,3S,4S,5R)-6-[[2-[(1-苄基哌啶-4-基)甲基]-6-羟基-1-氧代-2,3-二氢吲哚-5-基]氧基]-3,4,5-三羟基氧杂环己烷-2-羧酸和(2S,3S,4S,5R)-6-[[2-[(1-苄基哌啶-4-基)甲基]-6-羟基-3-氧代-1,2-二氢吲哚-5-基]氧基]-3,4,5-三羟基氧杂环己烷-2-羧酸。

5,6-O-DiDesmethyl Donepezil has known human metabolites that include (2S,3S,4S,5R)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-1-oxo-2,3-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and (2S,3S,4S,5R)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-3-oxo-1,2-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

来源:NORMAN Suspect List Exchange

文献信息

• EP1992616A1
  申请人：——

  公开号：EP1992616A1

  公开（公告）日：2008-11-19
• [EN] METHODS FOR TREATING PRION DISEASES<br/>[FR] METHODES DE TRAITEMENT DES MALADIES A PRIONS
  申请人：EISAI CO LTD

  公开号：WO2003024450A1

  公开（公告）日：2003-03-27

  The invention provides safe and effective methods for treating and preventing prion diseases by administering a therapeutically effective amount of at least one cholinesterase inhibitor. A preferred cholinesterase inhibitor is donepezil, stereoisomers thereof, or pharmaceutically acceptable salts thereof, such as ARICEPT®. Prion diseases, which are characterized by one or more symptoms of dementia and/or cognitive impairments, include, for example, Creutzfeldt-Jakob Disease, variant Creuzfeldt-Jakob Disease, Gerstmann-Sträussler-Scheinker disease, fatal familial insomnia, and kuru. In other embodiments, the invention provides methods for treating cognitive impairments due to surgery by administering a therapeutically effective amount of at least one cholinesterase inhibitor.
• [EN] METHODS FOR TREATING AND PREVENTING MIGRAINES<br/>[FR] METHODES DE TRAITEMENT ET DE PREVENTION DES MIGRAINES
  申请人：EISAI CO LTD

  公开号：WO2003024456A1

  公开（公告）日：2003-03-27

  The invention provides safe and effective methods for treating and preventing migraines by administering an effective amount of one or more cholinesterase inhibitors and, optionally, one or more migraine drugs. The invention also provides composition, combinations and kits comprising one or more cholinesterase inhibitors and one or more migraine drugs. In one embodiment, the cholinesterase inhibitor is donepezil or ARICEPT®.
• [EN] CHOLINESTERASE INHIBITORS TO PREVENT INJURIES CAUSED BY CHEMICALS<br/>[FR] INHIBITEURS DE CHOLINESTERASE POUR PREVENIR LES BLESSURES CAUSEES PAR DES PRODUITS CHIMIQUES
  申请人：EISAI CO LTD

  公开号：WO2003092606A2

  公开（公告）日：2003-11-13

  The invention provides methods for treating and preventing injuries caused by chemicals by administering to a patient a therapeutically effective amount of at least one cholinesterase inhibitor. The chemicals can be, for example, agricultural compounds or chemical weapons. In one embodiment, the cholinesterase inhibitor is donepezil, a stereoisomer thereof and/or a pharmaceutically acceptable salt thereof.
• [EN] METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS<br/>[FR] METHODES ET COMPOSITIONS UTILISANT DES INHIBITEURS DE LA CHOLINESTERASE
  申请人：EISAI CO LTD

  公开号：WO2004034963A2

  公开（公告）日：2004-04-29

  The invention provides methods for treating and/or preventing Alzheimer's disease, psychiatric illnesses, encephalitis, meningitis, fetal alcohol syndrome, Karsakoff's syndrome, anoxic brain injury, cardiopulmonary resuscitation injuries, diabetes, Sjogren's syndrome, mental retardation, developmental delay, menopause, strokes, macular degeneration, neuronal loss associated with macular degeneration, sleep disorders, severe Alzheimer's disease, jet lag, post-traumatic stress disorder, anxiety disorders, panic attacks, obsessive-compulsive disorder, amnesia, and other disorders by administering to a patient in need thereof at least one cholinesterase inhibitor. The invention also provides novel pharmaceutical compositions that can be administered to the eyes or to the nose of patients. In one embodiment, the cholinesterase inhibitor is donepezil, a stereoisomer thereof and/or a pharmaceutically acceptable salt thereof. In other embodiments, the cholinesterase inhibitor can be one or more of phenserine, tolserine, phenethylnorcymserine, ganstigmine, epastigmine, tacrine, physostigmine, pyridostigmine, neostigmine, rivastigmine, galantamine, citicoline, velnacrine, huperzine, metrifonate, heptastigmine, edrophonium, TAK-147, T-82, and upreazine.