(E)-4-(2-methylsulfonylethoxy)-4-oxobut-2-enoic acid

• 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)-4-(2-methylsulfonylethoxy)-4-oxobut-2-enoic acid
• 化学式: C₇H₁₀O₆S
• 分子量: 222.22
• InChiKey: OLUASFODDLAYEY-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 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：
  106
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20160137660A1

  公开（公告）日：2016-05-19

  The present invention provides compounds of formula (I), wherein: R 1 is unsubstituted C 1 -C 6 alkyl; L a is substituted or unsubstituted C 1 -C 6 alkyl linker, substituted or unsubstituted C 3 -C 10 carbocycle, substituted or unsubstituted heterocycle comprising one or two 5- or 6-member rings and 1-4 heteroatoms selected from N, O and S, or substituted or unsubstituted heteroaryl comprising one or two 5- or 6-member rings and 1-4 heteroatoms selected from N, O and S; and R 2 and R 3 are each, independently, H, substituted or unsubstituted C 1 -C 6 alkyl, or substituted or unsubstituted C 6 -C 10 aryl; or alternatively, R 2 and R 3 , together with the nitrogen atom to which they are attached, form a substituted or unsubstituted heteroaryl comprising one or two 5- or 6-member rings and 1-4 heteroatoms selected from N, O and S or a substituted or unsubstituted heterocycle comprising one or two 5- or 6-member rings and 1-4 heteroatoms selected from N, O and S. The invention also provides pharmaceutical compositions and methods for treating neurological diseases, such as multiple sclerosis.

  本发明提供式（I）的化合物，其中：R1是未取代的C1-C6烷基；La是取代或未取代的C1-C6烷基连接物，取代或未取代的C3-C10碳环，包含一个或两个5-或6-成员环和1-4个从N，O和S中选择的杂原子的取代或未取代的杂环，或者是取代或未取代的含有一个或两个5-或6-成员环和1-4个从N，O和S中选择的杂原子的取代或未取代的杂芳基；R2和R3各自独立地是H，取代或未取代的C1-C6烷基，或取代或未取代的C6-C10芳基；或者，R2和R3与它们附着的氮原子一起形成取代或未取代的杂芳基，其中包括一个或两个5-或6-成员环和1-4个从N，O和S中选择的杂原子，或取代或未取代的含有一个或两个5-或6-成员环和1-4个从N，O和S中选择的杂原子的杂环。本发明还提供用于治疗神经系统疾病，如多发性硬化症的药物组合物和方法。
• Prodrugs of fumarates and their use in treating various diseases
  申请人：Alkermes Pharma Ireland Limited

  公开号：US10080733B2

  公开（公告）日：2018-09-25

  The present invention provides compounds of formula (I), and pharmaceutical compositions thereof.

  本发明提供了式 (I) 化合物及其药物组合物。
• PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES
  申请人：Alkermes Pharma Ireland Limited

  公开号：EP2970101A1

  公开（公告）日：2016-01-20
• US20140275205A1
  申请人：——

  公开号：US20140275205A1

  公开（公告）日：2014-09-18
• Prodrugs of Fumarates and Their Use in Treating Various Diseases
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20200352893A1

  公开（公告）日：2020-11-12

  The present invention provides compounds of formula (I), and pharmaceutical compositions thereof.