2-methoxyethyl (E)-4-chloro-4-oxobut-2-enoate | 227091-06-7

• 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: 2-methoxyethyl (E)-4-chloro-4-oxobut-2-enoate
• CAS: 227091-06-7
• 化学式: C₇H₉ClO₄
• 分子量: 192.599
• InChiKey: MGRYGOHQBNDEKV-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methoxyethyl (E)-4-chloro-4-oxobut-2-enoate 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 20.0h， 生成 2-methoxyethyl (E)-4-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylamino]-4-oxobut-2-enoate
  参考文献：
  名称：

  Characteristics of an RNA Diels−Alderase Active Site

  摘要：

  The active site components and substrate specificity of an RNA Diels-Alderase (DA22) were investigated. Diels-Alderase activity was found to be highly dependent on a unique 5-position pyridyl modified uridine. Even closely related pyridyl modifications failed to yield active catalysts. Substrate specificity of this Diels-Alderase was remarkable. Experiments with alternative diene and dienophile substrates showed the active site of the Diels-Alderase to be highly discriminating, even against molecules of similar reactivity and structure. Inhibition studies with a series of product analogues established that the RNA recognizes functional components in and around the reaction center of both the diene and the dienophile. Taken together, these results suggest that DA22 can fold into a structure that produces an intricate metal/ligand dependent active site capable of highly specific molecular recognition.

  DOI：

  10.1021/ja983989m
• 作为产物：
  描述：

  2-甲氧乙基氢顺丁烯酸酯 在 氯化亚砜 作用下， 反应 1.0h， 生成 2-methoxyethyl (E)-4-chloro-4-oxobut-2-enoate
  参考文献：
  名称：

  Fumaric acid derivates and ophtalmic lenses using the same

  摘要：

  本发明涉及富马酸衍生物及使用它们的眼科透镜。更具体地，本发明涉及一种分子内具有亲水基和含硅烷基的富马酸衍生物，以及接触镜或人工晶体眼镜。本发明的富马酸衍生物一方面通过分子结构内含有硅烷基，提供了优异的氧气渗透性，另一方面通过同一分子内含有亲水基，提高了与其他亲水单体的相容性。当通过聚合含有富马酸衍生物的单体组成物制备眼科透镜时，例如水含量透镜，可以获得独立于水含量的高氧气渗透性透镜，其中富马酸衍生物在与组合使用的亲水单体相容性方面优越，并允许以各种混合比例组合。

  公开号：

  EP1930338A8

文献信息

• Fumaric Acid Derivatives and Ophthalmic Lenses Using the Same
  申请人：Itoh Takahito

  公开号：US20080132666A1

  公开（公告）日：2008-06-05

  The present invention relates to fumaric acid derivatives and ophthalmic lenses using them. More specifically, the present invention relates to a fumaric acid derivative having a hydrophilic group and a silicon-containing alkyl group within a molecule, and to contact lenses or intraocular lenses. The fumaric acid derivatives of the present invention provide, on one hand, superior oxygen permeability by having a silicon-containing alkyl group within the molecular structure, and on the other hand, improved compatibility with other hydrophilic monomers by having a hydrophilic group within the same molecule. When ophthalmic lenses obtained by polymerizing monomer compositions containing the fumaric acid derivative are constructed as, for example, water content lenses, lenses with high oxygen permeability independent from the water content may be obtained, wherein the fumaric acid derivatives is superior in compatibility with the hydrophilic monomer used in combination and allows the combination in various mixing ratios.
• US8101701B2
  申请人：——

  公开号：US8101701B2

  公开（公告）日：2012-01-24
• Characteristics of an RNA Diels−Alderase Active Site
  作者：Theodore M. Tarasow、Sandra L. Tarasow、Chi Tu、Elizabeth Kellogg、Bruce E. Eaton

  DOI：10.1021/ja983989m

  日期：1999.4.1

  The active site components and substrate specificity of an RNA Diels-Alderase (DA22) were investigated. Diels-Alderase activity was found to be highly dependent on a unique 5-position pyridyl modified uridine. Even closely related pyridyl modifications failed to yield active catalysts. Substrate specificity of this Diels-Alderase was remarkable. Experiments with alternative diene and dienophile substrates showed the active site of the Diels-Alderase to be highly discriminating, even against molecules of similar reactivity and structure. Inhibition studies with a series of product analogues established that the RNA recognizes functional components in and around the reaction center of both the diene and the dienophile. Taken together, these results suggest that DA22 can fold into a structure that produces an intricate metal/ligand dependent active site capable of highly specific molecular recognition.
• Fumaric acid derivates and ophtalmic lenses using the same
  申请人：e-brain Corporation Ltd.

  公开号：EP1930338A8

  公开（公告）日：2008-08-20

  The present invention relates to fumaric acid derivatives and ophthalmic lenses using them. More specifically, the present invention relates to a fumaric acid derivative having a hydrophilic group and a silicon-containing alkyl group within a molecule, and to contact lenses or intraocular lenses. The fumaric acid derivatives of the present invention provide, on one hand, superior oxygen permeability by having a silicon-containing alkyl group within the molecular structure, and on the other hand, improved compatibility with other hydrophilic monomers by having a hydrophilic group within the same molecule. When ophthalmic lenses obtained by polymerizing monomer compositions containing the fumaric acid derivative are constructed as, for example, water content lenses, lenses with high oxygen permeability independent from the water content may be obtained, wherein the fumaric acid derivatives is superior in compatibility with the hydrophilic monomer used in combination and allows the combination in various mixing ratios.

  本发明涉及富马酸衍生物及使用它们的眼科透镜。更具体地，本发明涉及一种分子内具有亲水基和含硅烷基的富马酸衍生物，以及接触镜或人工晶体眼镜。本发明的富马酸衍生物一方面通过分子结构内含有硅烷基，提供了优异的氧气渗透性，另一方面通过同一分子内含有亲水基，提高了与其他亲水单体的相容性。当通过聚合含有富马酸衍生物的单体组成物制备眼科透镜时，例如水含量透镜，可以获得独立于水含量的高氧气渗透性透镜，其中富马酸衍生物在与组合使用的亲水单体相容性方面优越，并允许以各种混合比例组合。