methylergometrine | 20313-98-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 麦角林及其衍生物
• 英文名称: methylergometrine
• 英文别名: D-Lysergsaeure-(+)-1-hydroxy-2-butylamid；Methylergobasin；Methylergometrin；6-methyl-9,10-didehydro-ergoline-8-carboxylic acid 1-hydroxymethyl-propylamide；9,10-Didehydro-N-[1-(hydroxymethyl)-propyl]-D-lysergamide；(6aR,9R)-N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• CAS: 20313-98-8
• 化学式: C₂₀H₂₅N₃O₂
• 分子量: 339.437
• InChiKey: UNBRKDKAWYKMIV-VZGYSGOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  68.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methylergometrine 在 水 、 溴 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.02h， 以61%的产率得到(5aS,6aR,9R)-7-Methyl-5-oxo-4,5,5a,6,6a,7,8,9-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide
  参考文献：
  名称：

  2,3-Dihydro-2-oxoergolene Derivatives

  摘要：

  一种制备8-或9-麦角甾烯的2-酮衍生物的一般程序已报道。讨论了这些化合物的质谱和核磁共振谱。

  DOI：

  10.1135/cccc19940929

文献信息

• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• ORAL PHARMACEUTICAL COMPOSITION OF METHYLERGONOVINE
  申请人：Lupin Inc.

  公开号：US20160339015A1

  公开（公告）日：2016-11-24

  An oral modified release pharmaceutical composition of methylergonovine suitable for oral once daily administration is provided. The composition includes at least about 0.6 mg dose of methylergonovine or a pharmaceutically acceptable salt thereof and is particularly useful for treating migraine or refractory migraine.
• ORAL PHARMACEUTICAL COMPOSITION OF METHYLERGONOVINE AND METHODS OF USE THEREOF
  申请人：Lupin Atlantis Holdings SA

  公开号：US20180098942A1

  公开（公告）日：2018-04-12

  A solid pharmaceutical oral composition for twice daily administration is provided. The composition includes from about 0.3 mg to about 0.6 mg in total of methylergonovine or a pharmaceutically acceptable salt thereof. The composition is used for treating a subject having a methylergonovine responsive condition such as migraine, refractory migraine, uterine atony, uterine haemorrhage, subinvolution of the uterus, and uterine haemorrhage in the second stage of labor.
• COMPOSITIONS COMPRISING A PSILOCYBIN DERIVATIVE AND A CANNABINOID
  申请人：CaaMTech, LLC

  公开号：US20190142851A1

  公开（公告）日：2019-05-16

  This disclosure pertains to new compositions and methods comprising a psilocybin derivative. In one embodiment, the compositions disclosed herein are used for a method of regulating a neurotransmitter receptor, e.g., a serotonin receptor. In one embodiment, the compositions disclosed herein comprise purified compounds, e.g., a purified psilocybin derivative, a purified cannabinoid, or purified terpene.
• COMPOSITIONS COMPRISING A SEROTONERGIC TRYPTAMINE COMPOUND
  申请人：CAAMTECH, INC.

  公开号：US20210346346A1

  公开（公告）日：2021-11-11

  Disclosed herein are compositions comprising a serotonergic tryptamine compound, combinations thereof, and methods of using them for treating and preventing a variety of human conditions. In one embodiment, disclosed herein are new compositions and methods which comprise a therapeutically effective amount of a first purified psilocybin derivative and a therapeutically effective amount of a second compound. The second compound is selected from the group consisting of a second purified psilocybin derivative, a purified terpene, a serotonergic drug, an adrenergic drug, a dopaminergic drug, a purified erinacine, and a purified hericenone.