methyl 5-morpholin-4-ylpentyl (2E)but-2-ene-1,4-dioate | 1448896-54-5

• 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 5-morpholin-4-ylpentyl (2E)but-2-ene-1,4-dioate
• 英文别名: 1-O-methyl 4-O-(5-morpholin-4-ylpentyl) (E)-but-2-enedioate
• CAS: 1448896-54-5
• 化学式: C₁₄H₂₃NO₅
• 分子量: 285.34
• InChiKey: OLSWMZAVJQIFBT-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 5-morpholin-4-ylpentyl (2E)but-2-ene-1,4-dioate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲基叔丁基醚 为溶剂， 反应 0.5h， 以65%的产率得到methyl 5-morpholin-4-ylpentyl (2E)but-2-ene-1,4-dioate hydrochloride
  参考文献：
  名称：

  MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE

  摘要：

  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。

  公开号：

  US20130203753A1
• 作为产物：
  描述：

  顺丁烯二酸单甲酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 乙酰氯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 6.17h， 生成 methyl 5-morpholin-4-ylpentyl (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

• TREATMENT OF MULTIPLE SCLEROSIS AND PSORIASIS USING PRODRUGS OF METHYL HYDROGEN FUMARATE
  申请人：XenoPort, Inc.

  公开号：US20150252013A1

  公开（公告）日：2015-09-10

  Improved methods of treating multiple sclerosis and/or psoriasis using prodrugs of methyl hydrogen fumarate are disclosed. The methods comprise administering certain prodrugs of methyl hydrogen fumarate. The methods are able to achieve high blood plasma concentrations of the active metabolite, methyl hydrogen fumarate, without causing significant gastrointestinal irritation. New prodrugs of methyl hydrogen fumarate are also disclosed.

  本发明揭示了使用甲基氢富马酸的前药来治疗多发性硬化症和/或银屑病的改进方法。该方法包括给予某些甲基氢富马酸的前药。该方法能够在不引起显著胃肠道刺激的情况下实现活性代谢物甲基氢富马酸的高血浆浓度。本发明还揭示了甲基氢富马酸的新前药。
• METHODS OF TREATING MULTIPLE SCLEROSIS
  申请人：Biogen MA Inc.

  公开号：EP3804711A1

  公开（公告）日：2021-04-14

  Provided herein are methods of treating multiple sclerosis with a fumarate, wherein the fumarate is a dialkyl fumarate, a monoalkyl fumarate, a combination of a dialkyl fumarate and a monoalkyl fumarate, a prodrug of monoalkyl fumarate, a deuterated form of any of the foregoing, or a pharmaceutically acceptable salt, clathrate, solvate, tautomer, or stereoisomer of any of the foregoing, or a combination of any of the foregoing. The methods provided herein improve the safety of treatment by informing and monitoring patients undergoing treatment regarding progressive multifocal leukoencephalopathy, and/or by monitoring lymphocyte count.

  本文提供了用富马酸盐治疗多发性硬化症的方法，其中富马酸盐是富马酸二烷基酯、富马酸单烷基酯、富马酸二烷基酯和富马酸单烷基酯的组合、富马酸单烷基酯的原药、前述任一物质的氚化形式、或前述任一物质的药学上可接受的盐、凝胶体、溶胶体、同系物或立体异构体、或前述任一物质的组合。本文提供的方法通过告知和监测接受治疗的患者进行性多灶性白质脑病的情况，和/或通过监测淋巴细胞计数，提高了治疗的安全性。
• Methods of treating multiple sclerosis
  申请人：Biogen MA Inc.

  公开号：US10959972B2

  公开（公告）日：2021-03-30

  Provided herein are methods of treating multiple sclerosis with a fumarate, wherein the fumarate is a dialkyl fumarate, a monoalkyl fumarate, a combination of a dialkyl fumarate and a monoalkyl fumarate, a prodrug of monoalkyl fumarate, a deuterated form of any of the foregoing, or a pharmaceutically acceptable salt, clathrate, solvate, tautomer, or stereoisomer of any of the foregoing, or a combination of any of the foregoing. The methods provided herein improve the safety of treatment by informing and monitoring patients undergoing treatment regarding progressive multifocal leukoencephalopathy, and/or by monitoring lymphocyte count.

  本文提供了用富马酸盐治疗多发性硬化症的方法，其中富马酸盐是富马酸二烷基酯、富马酸单烷基酯、富马酸二烷基酯和富马酸单烷基酯的组合、富马酸单烷基酯的原药、前述任一物质的氚化形式、或前述任一物质的药学上可接受的盐、凝胶体、溶胶体、同系物或立体异构体、或前述任一物质的组合。本文提供的方法通过告知和监测接受治疗的患者进行性多灶性白质脑病的情况，和/或通过监测淋巴细胞计数，提高了治疗的安全性。
• Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use
  申请人：XenoPort, Inc.

  公开号：US20140051705A1

  公开（公告）日：2014-02-20

  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.
• Methods of Treating Multiple Sclerosis
  申请人：Biogen MA Inc.

  公开号：US20170354630A1

  公开（公告）日：2017-12-14

  Provided herein are methods of treating multiple sclerosis with a fumarate, wherein the fumarate is a dialkyl fumarate, a monoalkyl fumarate, a combination of a dialkyl fumarate and a monoalkyl fumarate, a prodrug of monoalkyl fumarate, a deuterated form of any of the foregoing, or a pharmaceutically acceptable salt, clathrate, solvate, tautomer, or stereoisomer of any of the foregoing, or a combination of any of the foregoing. The methods provided herein improve the safety of treatment by informing and monitoring patients undergoing treatment regarding progressive multifocal leukoencephalopathy, and/or by monitoring lymphocyte count.