1-[3-tert-butyl-5-(4-hydroxy-piperidin-1-yl)-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)-ethanone hydrobromide | 474551-79-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-tert-butyl-5-(4-hydroxy-piperidin-1-yl)-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)-ethanone hydrobromide
• 英文别名: 1-[3-tert-butyl-5-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone;hydrobromide
• CAS: 474551-79-6
• 化学式: BrH*C₃₀H₄₀FN₃O₅
• 分子量: 622.575
• InChiKey: FXZOBSNOHJFGBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  95.3
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine 、 2-Bromo-1-[3-(tert-butyl)-5-(4-hydroxypiperidino)-4-methoxyphenyl]-1-ethanone 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 62.0h， 生成 1-[3-tert-butyl-5-(4-hydroxy-piperidin-1-yl)-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)-ethanone hydrobromide
  参考文献：
  名称：

  2-IMINOPYRROLIDINE DERIVATES

  摘要：

  公开号：

  EP1391451B1

文献信息

• 2-Iminopyrrolidine derivatives
  申请人：Suzuki Shuichi

  公开号：US20050245592A1

  公开（公告）日：2005-11-03

  A 2-iminopyrrolidine derivative represented by the formula: wherein ring B represents a benzene ring, pyridine ring, etc.; R 101 -R 103 represent hydrogen, halogen, C 1-6 alkyl, etc.; R 5 represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy-C 1-6 alkyl, etc.; R 6 represents hydrogen, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, etc.; Y 1 represents a single bond, —CH 2 —, etc.; Y 2 represents a single bond, —CO—, etc.; and Ar represents hydrogen, a group represented by the formula: [wherein R 10 -R 14 represent hydrogen, C 1-6 alkyl, hydroxyl, C 1-6 alkoxy, etc.; and R 11 and R 12 or R 12 and R 13 may bond together to form a 5- to 8-membered heterocyclic ring], etc.}, or a salt thereof.

  一种2-伊米诺吡咯烷衍生物，其化学式为：其中环B代表苯环、吡啶环等；R101-R103代表氢、卤素、C1-6烷基等；R5代表氢、C1-6烷基、C1-6烷氧基-C1-6烷基等；R6代表氢、C1-6烷基、C1-6烷氧羰基等；Y1代表单键，-CH2-等；Y2代表单键，-CO-等；Ar代表氢，一个由以下式子表示的基团：[其中R10-R14代表氢、C1-6烷基、羟基、C1-6烷氧基等；R11和R12或R12和R13可以结合形成5-至8-成员的杂环]，等，或其盐。
• Process for preparing 2-iminopyrrolidine derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1614680B1

  公开（公告）日：2011-12-21
• 2-Iminoisoindolinone derivatives as thrombin receptor antagonists
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2385039B1

  公开（公告）日：2014-03-12
• METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS
  申请人：Mackman Nigel

  公开号：US20090022729A1

  公开（公告）日：2009-01-22

  The present invention provides methods and pharmaceutical compositions for treating or preventing cardiac dysfunctions (e.g., cardiac hypertrophy, cardiac remodeling, or heart failure) in subjects who have or are likely to develop cardiomyopathies. Some of the methods are directed to therapeutic or prophylactic treatment of cardiac dysfunctions in subjects having undergone myocardial injuries such as cardiac ischemia/reperfusion or myocardial infarction. Typically, these methods comprising administering to the subjects a therapeutic composition comprising a compound which can specifically inhibit PAR1 mediated signaling or down-regulate the cellular level of PAR1.
• US7244730B2
  申请人：——

  公开号：US7244730B2

  公开（公告）日：2007-07-17