methyl (2-(methylsulfonyl)ethyl)fumarate | 1577222-01-5

• 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: methyl (2-(methylsulfonyl)ethyl)fumarate
• 英文别名: 1-O-methyl 4-O-(2-methylsulfonylethyl) (E)-but-2-enedioate
• CAS: 1577222-01-5
• 化学式: C₈H₁₂O₆S
• 分子量: 236.246
• InChiKey: NGIQBRSTCVNPCU-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] DIMETHYLFUMARATE AND PRODRUGS FOR TREATMENT OF MULTIPLE SCLEROSIS<br/>[FR] DIMÉTHYLFUMARATE ET PROMÉDICAMENTS POUR LE TRAITEMENT DE LA SCLÉROSE EN PLAQUES
  申请人：BIOGEN MA INC

  公开号：WO2015172083A1

  公开（公告）日：2015-11-12

  Methods and systems to evaluate prodrugs, drugs, or drug metabolites are provided.

  提供了评估前药、药物或药物代谢物的方法和系统。
• FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Nguyen Mark Quang

  公开号：US20170020837A1

  公开（公告）日：2017-01-26

  Fumarate compounds, pharmaceutical compositions comprising the fumarate compounds, and methods of using fumarate compounds and pharmaceutical compositions for treating neurodegenerative, inflammatory, and autoimmune disorders including multiple sclerosis, psoriasis, irritable bowel disorder, ulcerative colitis, arthritis, chronic obstructive pulmonary disease, asthma, Parkinson's disease, Huntington's disease, and amyotrophic lateral sclerosis are disclosed.

  富马酸化合物、包含富马酸化合物的药物组合物，以及使用富马酸化合物和药物组合物治疗神经退行性、炎症性和自身免疫性疾病的方法被披露。这些疾病包括多发性硬化症、银屑病、肠易激综合征、溃疡性结肠炎、关节炎、慢性阻塞性肺病、哮喘、帕金森病、亨廷顿病和肌萎缩侧索硬化症。
• 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 AND DRUGS
  申请人：Biogen MA Inc.

  公开号：US20160115540A1

  公开（公告）日：2016-04-28

  Methods and systems to evaluate a prodrug are provided.

  提供了评估前药的方法和系统。
• Prodrugs of fumarates and their use in treating various diseases
  申请人：Alkermes Pharma Ireland Limited

  公开号：US10189855B2

  公开（公告）日：2019-01-29

  The present invention provides compounds of formula (I), wherein: R1 is unsubstituted C1-C6 alkyl; La is substituted or unsubstituted C1-C6 alkyl linker, substituted or unsubstituted C3-C10 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 R2 and R3 are each, independently, H, substituted or unsubstituted C1-C6 alkyl, or substituted or unsubstituted C6-C10 aryl; or alternatively, R2 and R3, 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.

  本发明提供了式 (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 烷基连接基、取代或未取代的 C3-C10 碳环、由一个或两个 5 或 6 元环和 1-4 个选自 N、O 和 S 的杂原子组成的取代或未取代的杂环，或由一个或两个 5 或 6 元环和 1-4 个选自 N、O 和 S 的杂原子组成的取代或未取代的杂芳基；以及 R2 和 R3 各自独立地为 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 与它们所连接的氮原子一起形成取代或未取代的杂芳基，包括一个或两个 5 或 6 元环和 1-4 个选自 N、O 和 S 的杂原子；或者形成取代或未取代的杂环，包括一个或两个 5 或 6 元环和 1-4 个选自 N、O 和 S 的杂原子。 本发明还提供了治疗神经系统疾病（如多发性硬化症）的药物组合物和方法。