(N-methoxy-N-methylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate | 1208229-70-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (N-methoxy-N-methylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate
• 英文别名: (N-Methoxy-N-methylcarbamoyl)methyl methyl(2E)but-2-ene-1,4-dioate；4-O-[2-[methoxy(methyl)amino]-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate
• CAS: 1208229-70-2
• 化学式: C₉H₁₃NO₆
• 分子量: 231.205
• InChiKey: DNFZKNPDVJWXPG-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  富马酸单甲酯 、 氯乙酰胺-N-甲醇 、 cesium bicarbonate 在 N-methyl 、 crude material 、 乙酸乙酯 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以to provide 0.54 g (61% yield) of the title compound (10) as a white solid的产率得到(N-methoxy-N-methylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate
  参考文献：
  名称：

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use

  摘要：

  本发明揭示了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。

  公开号：

  US08778991B2

文献信息

• 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 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。
• Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof
  申请人：Gangakhedkar Archana

  公开号：US08785443B2

  公开（公告）日：2014-07-22

  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。
• 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。