2-{4-[(tert-butyl)oxycarbonyl]piperazinyl}ethyl methyl (2E)but-2-ene-1,4-dioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-{4-[(tert-butyl)oxycarbonyl]piperazinyl}ethyl methyl (2E)but-2-ene-1,4-dioate
• 英文别名: 1-O-methyl 4-O-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl] (E)-but-2-enedioate
• 化学式: C₁₆H₂₆N₂O₆
• 分子量: 342.392
• InChiKey: QMLRHRXSPVZCBC-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE<br/>[FR] COMPOSÉS DE FUMARATE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION
  申请人：XENOPORT INC

  公开号：WO2016061393A1

  公开（公告）日：2016-04-21

  Monomethyl and monoethyl fumarate prodrugs, pharmaceutical compositions comprising the monomethyl and monoethyl fumarate prodrugs, and methods of using monomethyl and monoethyl fumarate prodrugs 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.

  甲甲基和乙基富马酸前药物，包含甲甲基和乙基富马酸前药物的药物组合物，以及使用甲甲基和乙基富马酸前药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，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：US10406133B2

  公开（公告）日：2019-09-10

  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。
• US20140275048A1
  申请人：——

  公开号：US20140275048A1

  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：US20170095439A1

  公开（公告）日：2017-04-06

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