iso-A2E

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: iso-A2E
• 英文别名: iso-A 2E；2-[2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol
• 化学式: C₄₂H₅₈NO
• 分子量: 592.929
• InChiKey: WPWFMRDPTDEJJA-HYQJUSHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  24.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  iso-A2E 以 甲醇 为溶剂， 生成 吡啶正离子,2-[(1E,3E,5E,7E)-2,6-二甲基-8-(2,6,6-三甲基-1-环己烯-1-基)-1,3,5,7-辛四烯-1-基]-1-(2-羟基乙基)-4-[(1E,3E,5E)-4-甲基-6-(2,6,6-三甲基-1-环己烯-1-基)-1,3,5-己三烯-1-基]-
  参考文献：
  名称：

  Fluorescent pigments of the retinal pigment epithelium and age-related macular degeneration

  摘要：

  The major hydrophobic fluorophore of the retinal pigment epithelium (RPE) is A2E, a pyridinium bis-retinoid derived from all-trans-retinal and phosphatidyl-ethanolamine. The accumulation of fluorophores such as A2E is implicated in the pathogenesis of age-related macular degeneration (AMD), a disease associated with the deterioration of central vision and a leading cause of blindness in the elderly. Recent chemical and biological studies have provided insight into the synthesis and biosynthesis of A2E, the spectroscopic properties of this pigment, and the role of A2E and RPE cell death. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00314-6
• 作为产物：
  描述：

  视黄醛 、 C.I.酸性橙108 生成 吡啶正离子,2-[(1E,3E,5E,7E)-2,6-二甲基-8-(2,6,6-三甲基-1-环己烯-1-基)-1,3,5,7-辛四烯-1-基]-1-(2-羟基乙基)-4-[(1E,3E,5E)-4-甲基-6-(2,6,6-三甲基-1-环己烯-1-基)-1,3,5-己三烯-1-基]- 、 iso-A2E
  参考文献：
  名称：

  Pharmaceutical composition comprising N-retinyl-N-retinylidene Ethanolamine (A2E), isoforms of A2E or derivatives thereof

  摘要：

  本发明涉及一种制药组合物，包括N-视黄醇-N-视黄醛基乙醇胺（A2E）、A2E的同分异构体或其衍生物，其通过从线粒体上分离促凋亡蛋白诱导细胞凋亡。此外，还公开了该制药组合物的解毒剂。本发明还涉及使用N-视黄醇-N-视黄醛基乙醇胺（A2E）、A2E的同分异构体或其衍生物制备制药组合物的用途，以及使用磷脂制备解毒剂的用途。此外，还公开了一种治疗增生性疾病的方法和筛选通过从线粒体上分离促凋亡蛋白诱导细胞凋亡的A2E同分异构体或其衍生物的方法。

  公开号：

  EP1510211A1

文献信息

• Pharmaceutical composition comprising N-retinyl-N-retinylidene Ethanolamine (A2E), isoforms of A2E or derivatives thereof
  申请人：Lynkeus Biotech GmbH

  公开号：EP1510211A1

  公开（公告）日：2005-03-02

  The present invention relates to a pharmaceutical composition comprising N-retinyl-N-retinylidene ethanolamine (A2E), isoforms of A2E or derivatives thereof which induce apoptosis by detaching pro-apoptotic proteins from mitochondria. Further, an antidote for said pharmaceutical composition is disclosed. The invention further relates to a use of N-retinyl-N-retinylidene ethanolamine (A2E), isoforms of A2E or derivatives for the preparation of a pharmaceutical composition and the use of phospholipids for the preparation of an antidote for said pharmaceutical composition. Moreover a method for the treatment of proliferative diseases and a method of screening for isoforms of A2E or derivatives thereof which induce apoptosis by detaching pro-apoptotic proteins from mitochondria are disclosed.

  本发明涉及一种制药组合物，包括N-视黄醇-N-视黄醛基乙醇胺（A2E）、A2E的同分异构体或其衍生物，其通过从线粒体上分离促凋亡蛋白诱导细胞凋亡。此外，还公开了该制药组合物的解毒剂。本发明还涉及使用N-视黄醇-N-视黄醛基乙醇胺（A2E）、A2E的同分异构体或其衍生物制备制药组合物的用途，以及使用磷脂制备解毒剂的用途。此外，还公开了一种治疗增生性疾病的方法和筛选通过从线粒体上分离促凋亡蛋白诱导细胞凋亡的A2E同分异构体或其衍生物的方法。
• A NON-RETINOID RBP4 ANTAGONIST FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE
  申请人：Petrukhin Konstantin

  公开号：US20140031392A1

  公开（公告）日：2014-01-30

  A method for treating bisretinoid-mediated macular degeneration in a mammal afflicted therewith comprising administering to the mammal an effective amount of a compound having the structure: or an ester or a pharmaceutically acceptable salt thereof.

  一种治疗哺乳动物双视黄醛介导的黄斑退化的方法，包括向哺乳动物投与一种具有以下结构的化合物的有效量：或其酯或药学上可接受的盐。
• OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160024007A1

  公开（公告）日：2016-01-28

  The present invention provides Octahydrocyclopentapyrrole compounds having the structure: (structurally represented) wherein psi is absent or present, and when present is a bond; R1, R2, R3, R4, and R5 are each independently H, halogen, CF, or C1-C4 alkyl; R6 is absent or present, and when present is H, OH, or halogen; A is absent or present, and when present is C(O) or C(O)NH; B is substituted or unsubstituted monocycle, bicycle, heteromonocycle, heterobicycle, benzyl, CO2H or (C1-C4 alkyl)-CO2H, wherein when B is CO2H, then A is present and is C(O); and when psi is present, then R6 is absent and when psi is absent, then R6 is present, or a pharmaceutically acceptable salt thereof, for treatment of diseases characterized by excessive lipofuscin accumulation in the retina.

  本发明提供了八氢环戊吡咯化合物，其结构如下：（结构式表示），其中psi不存在或存在，当存在时为键；R1、R2、R3、R4和R5各自独立地为H、卤素、CF或C1-C4烷基；R6不存在或存在，当存在时为H、OH或卤素；A不存在或存在，当存在时为C（O）或C（O）NH；B为取代或未取代的单环、双环、杂单环、杂双环、苄基、CO2H或（C1-C4烷基）-CO2H，其中当B为CO2H时，A存在且为C（O）；当psi存在时，R6不存在，当psi不存在时，R6存在，或其药学上可接受的盐，用于治疗以视网膜过多脂褐质沉积为特征的疾病。
• OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160046632A1

  公开（公告）日：2016-02-18

  The present invention provides compounds comprising variously substituted octahydropyrrolopyrroles, their synthesis, methods of making, methods of using, compositions and formulations thereof.

  本发明提供了包含各种取代的八氢吡咯吡咯化合物，它们的合成方法，制备方法，使用方法，以及它们的组成和配方。
• N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20160046649A1

  公开（公告）日：2016-02-18

  The present invention provides a compound having the structure: (structurally represented) wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl; R6 is alkyl; A is absent or present, and when present is —C(O)— or —C(O)NH—; B is substituted or unsubstituted monocycle, bicycle, heteromonocycle, heterobicycle, benzyl, CO2H or (C1-C4 alkyl)-CO2H, wherein when B is CO2H, then A is present and is —C(O)—, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物：（结构表示）其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基；R6为烷基；A不存在或存在，当存在时为—C（O）—或—C（O）NH—；B为取代或未取代的单环、双环、杂单环、杂双环、苄基、CO2H或（C1-C4烷基）-CO2H，其中当B为CO2H时，A存在且为—C（O）—，或其药学上可接受的盐。