(E)-Ethyl-2-fluoro-4-phenyl-2-butenoate | 955038-33-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-Ethyl-2-fluoro-4-phenyl-2-butenoate
• 英文别名: ethyl (E)-2-fluoro-4-phenylbut-2-enoate
• CAS: 955038-33-2
• 化学式: C₁₂H₁₃FO₂
• 分子量: 208.232
• InChiKey: KVUYZRGLIIBYRL-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-Ethyl-2-fluoro-4-phenyl-2-butenoate 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 硫酸 、 sodium hydride 、 二异丁基氢化铝 作用下， 以 甲醇 、 乙醚 、 甲苯 、 xylene 为溶剂， 生成 (Z)-(S)-5-Amino-4-fluoro-6-phenyl-hex-3-en-1-ol
  参考文献：
  名称：

  氟烯烃二肽等排体-II。：对苯二酚-二甘氨酸二肽模拟物的两个对映体的对映体选择性合成

  摘要：

  向α-氟代-α，β-不饱和醛中添加旋光酯烯醇，再由三氯乙酰胺基通过超载重排形成的烯丙基羟基进行正式的S N 2'取代，构成了制备氟代蝶呤二肽等排体的新途径呈对映体纯形式。该方法学用于制备Phe…（CFCH）Gly二肽模拟物的两个对映体，并进一步延长为P物质类似物。

  DOI：

  10.1016/s0040-4039(00)88549-4

文献信息

• Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases
  申请人：Wang Yanjun Eric

  公开号：US20070293548A1

  公开（公告）日：2007-12-20

  Compositions and methods of using compositions for treatment of inflammatory diseases and immune disorders are provided. Allylamino compounds are disclosed which are inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and/or vascular adhesion protein 1 (VAP-1). The compounds have therapeutic utility in suppressing inflammation and inflammatory responses, and in treatment of several disorders, including multiple sclerosis and stroke.

  提供了用于治疗炎症性疾病和免疫紊乱的组合物及使用组合物的方法。公开了一种烯丙胺化合物，它们是半胱氨酸敏感胺氧化酶（SSAO）和/或血管粘附蛋白1（VAP-1）的抑制剂。这些化合物在抑制炎症和炎症反应方面具有治疗效用，并可用于治疗多发性硬化症和中风等多种疾病。
• PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS
  申请人：Rogel Olivier

  公开号：US20090247577A1

  公开（公告）日：2009-10-01

  Novel 3-mono-, 3,4-di- and 3,4,4,-tri-substituted pyrrolidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (disorder) that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; pharmaceutical formulations comprising a said substituted pyrrolidine compound, and/or a method of treatment comprising administering a said substituted pyrrolidine compound. The substituted pyrrolidine compounds are especially of the formula I, wherein the substituents are as defined in the specification.

  小说3-单取代、3,4-双取代和3,4,4-三取代吡咯烷化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖于β-分泌酶活性和/或β-淀粉样蛋白生成及其后续寡聚体和纤维聚集的疾病（紊乱）；该类化合物的使用用于制备用于治疗依赖于β-分泌酶活性和/或β-淀粉样蛋白生成及其后续寡聚体和纤维聚集的疾病的药物配方；包括所述取代的吡咯烷化合物的药物配方和/或包括给予该取代的吡咯烷化合物的治疗方法。所述取代的吡咯烷化合物特别是公式I的，其中取代基如规范中所定义。
• INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES
  申请人：WANG Eric Yanjun

  公开号：US20110269811A1

  公开（公告）日：2011-11-03

  Compositions and methods of using compositions for treatment of inflammatory diseases and immune disorders are provided. Allylamino compounds are disclosed which are inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and/or vascular adhesion protein 1 (VAP-1). The compounds have therapeutic utility in suppressing inflammation and inflammatory responses, and in treatment of several disorders, including multiple sclerosis and stroke.

  提供了治疗炎症性疾病和免疫紊乱的组合物和使用组合物的方法。披露了抑制半胱氨酸敏感胺氧化酶（SSAO）和/或血管黏附蛋白1（VAP-1）的丙烯氨基化合物。这些化合物在抑制炎症和炎症反应以及治疗多种疾病，包括多发性硬化和中风方面具有治疗效用。
• [EN] PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS<br/>[FR] DÉRIVÉS DE LA PYRROLIDINE UTILISABLES EN TANT QU'INHIBITEURS DE BACE
  申请人：NOVARTIS AG

  公开号：WO2007140980A1

  公开（公告）日：2007-12-13

  [EN] Novel 3-mono-, 3,4-di- and 3,4,4,-tri-substituted pyrrolidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (= disorder) that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on the activity of beta-secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; the use of a compound of that class in the treatment of a disease that depends on the activity of beta- secretase and/or the generation of beta-amyloid and the subsequent aggregation into oligomers and fibrils; pharmaceutical formulations comprising a said substituted pyrrolidine compound, and/or a method of treatment comprising administering a said substituted pyrrolidine compound. The substituted pyrrolidine compounds are especially of the formula (I), wherein the substituents are as defined in the specification.
  [FR] La présente invention concerne des nouveaux composés de pyrrolidine porteurs de 3-mono-, 3,4-di- ou 3,4,4-tri-substitutions, lesdits composés étant utilisables pour le diagnostic et le traitement thérapeutique d'un animal homéotherme, en particulier pour le traitement d'une maladie (= affection) qui dépend de l'activité de la bêta-secrétase et/ou de la génération de bêta-amyloïde et l'agrégation subséquente en oligomères et en fibrilles. L'invention concerne également l'utilisation d'un composé de cette classe pour la préparation d'une formulation pharmaceutique destinée au traitement d'une maladie qui dépend de l'activité de la bêta-secrétase et/ou de la génération de bêta-amyloïde et l'agrégation subséquente en oligomères et en fibrilles ; l'utilisation d'un composé de cette classe pour le traitement d'une maladie qui dépend de l'activité de la bêta-secrétase et/ou de la génération de bêta-amyloïde et l'agrégation subséquente en oligomères et en fibrilles ; des formulations pharmaceutiques comprenant un desdits composés de pyrrolidine porteurs de substitutions et/ou un procédé de traitement comprenant l'administration d'un desdits composés de pyrrolidine porteurs de substitutions. Les composés de pyrrolidine porteurs de substitutions répondent en particulier à la formule (I), dans laquelle les substituants sont tels que définis dans la spécification.
• Fluoroolefin dipeptide isosteres -II.
  作者：Thomas Allmendinger、Eduard Felder、Ernst Hungarbühler

  DOI：10.1016/s0040-4039(00)88549-4

  日期：1990.1

  hydroxyl group thus formed by a trichloro-acetamido group via Overman rearrangement constitutes a new general route to fluoroofefin dipeptide isosteres in enantiomerically pure form. This methodology was applied for the preparation of both enantiomars of the Phe…(CFCH)Gly dipeptide mimic which were further elongated to substance P analogues.

  向α-氟代-α，β-不饱和醛中添加旋光酯烯醇，再由三氯乙酰胺基通过超载重排形成的烯丙基羟基进行正式的S N 2'取代，构成了制备氟代蝶呤二肽等排体的新途径呈对映体纯形式。该方法学用于制备Phe…（CFCH）Gly二肽模拟物的两个对映体，并进一步延长为P物质类似物。