methyl 2-morpholin-4-yl-2-oxoethyl (2E)but-2-ene-1,4-dioate | 1208229-62-2

• 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: methyl 2-morpholin-4-yl-2-oxoethyl (2E)but-2-ene-1,4-dioate
• 英文别名: Methyl 2-morpholin-4-yl-2-oxoethyl(2E)but-2-ene-1,4-dioate；1-O-methyl 4-O-(2-morpholin-4-yl-2-oxoethyl) (E)-but-2-enedioate
• CAS: 1208229-62-2
• 化学式: C₁₁H₁₅NO₆
• 分子量: 257.243
• InChiKey: URJPHBCJYCQTKQ-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-1-吗琳乙-1-酮 、 富马酸单甲酯 生成 methyl 2-morpholin-4-yl-2-oxoethyl (2E)but-2-ene-1,4-dioate
  参考文献：
  名称：

  METHOD OF MAKING MONOMETHYL FUMARATE

  摘要：

  公开了制备单甲基富马酸的方法，该单甲基富马酸随后也可用于制备单甲基富马酸的前药的方法。单甲基富马酸及其前药可用于治疗神经退行性、炎症性和自身免疫性疾病，包括多发性硬化、银屑病、肠易激综合征、溃疡性结肠炎、关节炎、慢性阻塞性肺疾病、哮喘、帕金森病、亨廷顿病和肌萎缩侧索硬化症。

  公开号：

  US20140364604A1

文献信息

• MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE
  申请人：XENOPORT, INC.

  公开号：US20130203753A1

  公开（公告）日：2013-08-08

  Morpholinoalkyl fumarates, pharmaceutical compositions comprising the morpholinoalkyl fumarates, and methods of using morpholinoalkyl fumarates 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.

  Morpholino烯丙酸烷基酯，包含该类化合物的药物组合物，以及使用Morpholino烯丙酸烷基酯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、牛皮癣、肠易激综合征、溃疡性结肠炎、关节炎、慢性阻塞性肺疾病、哮喘、帕金森病、亨廷顿病和肌萎缩侧索硬化症。
• PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Gangakhedkar Archana

  公开号：US20100048651A1

  公开（公告）日：2010-02-25

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明公开了甲基氢富马酸的前药、包含甲基氢富马酸前药的药物组合物，以及利用甲基氢富马酸前药和药物组合物治疗牛皮癣、哮喘、多发性硬化、炎症性肠病和关节炎等疾病的方法。
• METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS
  申请人：XenoPort, Inc.

  公开号：US20150038499A1

  公开（公告）日：2015-02-05

  Methods of improving patient safety and reducing undesirable side effects for patients considering therapeutic treatment using monomethyl fumarate and prodrugs of monomethyl fumarate are disclosed. In particular, a method of treating a disease in a patient in need of such treatment is provided. The method comprises testing the patient for a propensity for a deficiency in tissue glutathione S-transferase theta 1 enzyme (GSTT1) levels. Thereafter, a therapeutically effective amount of a compound selected from monomethyl fumarate (MMF), a prodrug of monomethyl fumarate, and combinations thereof is administered to the patient. During the treatment of the disease, blood lymphocyte concentration is periodically tested in the patient at a predetermined time interval length that is based on the enzyme level propensity testing result.

  本发明涉及改善患者安全和减少治疗使用单甲基富马酸及其前药所产生的不良副作用的方法。具体而言，本发明提供了一种治疗患者疾病的方法。该方法包括对患者进行组织谷胱甘肽S-转移酶θ1酶（GSTT1）水平缺陷的倾向性测试。随后，向患者施用单甲基富马酸（MMF）、单甲基富马酸前药或其组合的治疗有效量。在治疗疾病期间，以基于酶水平倾向性测试结果的预定时间间隔长度定期检测患者的血淋巴细胞浓度。
• METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Gangakhedkar Archana

  公开号：US20120095003A1

  公开（公告）日：2012-04-19

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明涉及甲基氢富马酸的前药、包含甲基氢富马酸前药的制药组合物以及使用甲基氢富马酸前药和制药组合物治疗诸如银屑病、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。
• Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use
  申请人：XenoPort, Inc.

  公开号：US08148414B2

  公开（公告）日：2012-04-03

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明涉及甲基氢富马酸的前药、包含甲基氢富马酸前药的制剂，以及使用甲基氢富马酸前药和制剂治疗诸如牛皮癣、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。