4-(2-氨基乙基)-5-甲基苯-1,2-二醇 | 53622-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-(2-氨基乙基)-5-甲基苯-1,2-二醇
• 英文名称: 4-(2-aminoethyl)-5-methylbenzene-1,2-diol
• 英文别名: 5-methyldopamine；6-Methyldopamin；1,2-Benzenediol, 4-(2-aminoethyl)-5-methyl-
• CAS: 53622-79-0
• 化学式: C₉H₁₃NO₂
• 分子量: 167.208
• InChiKey: LLODXZAKBIVLEO-UHFFFAOYSA-N

物化性质

• 沸点：
  351.5±37.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2-Methyl-4.5-dimethoxyphenethylamin	94823-73-1	C11H17NO2	195.261

反应信息

• 作为产物：
  描述：

  2-Methyl-4.5-dimethoxyphenethylamin 在 氢溴酸 、 溶剂黄146 作用下， 生成 4-(2-氨基乙基)-5-甲基苯-1,2-二醇
  参考文献：
  名称：

  Boschi,G. et al., European Journal of Medicinal Chemistry, 1977, vol. 12, p. 227 - 230

  摘要：

  DOI：

文献信息

• Wound healing polymeric networks
  申请人：Beckman J. Eric

  公开号：US20070014755A1

  公开（公告）日：2007-01-18

  A composition includes at least one biologically active agent covalently attached to a first polymerizing molecule that is adapted to undergo a free radical polymerization. The first polymerizing molecule retains the ability to undergo free radical polymerization after attachment of the bioactive agent thereto. The first polymerizing molecule is preferably biocompatible. The polymerizing molecule can, for example. be dihydroxyphenyl-L-alanine (DOPA) or tyrosine. The composition can also include a second component synthesized by reacting at least one core molecule having a plurality of reactive hydrogen groups with at least one multi-isocyanate functional molecule to create a conjugate including terminal isocyanate groups. The conjugate molecule is reacted with a second polymerizing molecule that is adapted to undergo a free radical polymerization. The second polymerizing molecule includes a reactive hydrogen to react with the isocyanate groups of the conjugate. The second polymerizing molecule retains the ability to undergo the free radical polymerization after reaction with the conjugate. In several embodiments, the first polymerizing molecule and the second polymerizing molecule are the same and dihydroxyphenyl-L-alanine (DOPA) or tyrosine.

  一种组合物包括至少一种生物活性剂，其共价附着在适合进行自由基聚合的第一聚合分子上。附着生物活性剂后，第一聚合分子仍保留进行自由基聚合的能力。第一聚合分子最好是生物相容性的。聚合分子可以是二羟基苯丙氨酸（DOPA）或酪氨酸等。该组合物还可以包括通过将至少一个具有多个反应性氢基团的核心分子与至少一个多异氰酸酯功能分子反应合成的第二成分，从而创建包括末端异氰酸酯基团的共轭物。共轭分子与适合进行自由基聚合的第二聚合分子反应。第二聚合分子包括反应性氢，以与共轭体的异氰酸酯基团反应。第二聚合分子在与共轭体反应后仍保留进行自由基聚合的能力。在几种实施方式中，第一聚合分子和第二聚合分子是相同的，例如二羟基苯丙氨酸（DOPA）或酪氨酸。
• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP3567029A1

  公开（公告）日：2019-11-13

  The present invention relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, the imaging agent is enriched in 18F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs. In some embodiments, methods and compositions for assessing perfusion and innervation mismatch in a portion of a subject are provided.

  本发明涉及合成和使用成像剂或其前体的系统、组合物和方法。成像剂前体可通过本文所述方法转化为成像剂。在某些情况下，成像剂富含 18F。在某些情况下，成像剂可用于成像受试者感兴趣的区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。在一些实施方案中，提供了用于评估受试者部分灌注和神经支配失配的方法和组合物。
• METHOD FOR THE IDENTIFICATION OF CATECHOL O-METHYLTRANSFERASE MODULATORS
  申请人：Hoffman-La Roche Inc.

  公开号：US20130217595A1

  公开（公告）日：2013-08-22

  The present invention relates to a method for the identification of modulators of catechol O-methyltransferase enzyme activity (COMT).
• [EN] COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS<br/>[FR] COMPOSITIONS, PROCÉDÉS ET SYSTÈMES DE SYNTHÈSE ET D'UTILISATION D'AGENTS D'IMAGERIE
  申请人：LANTHEUS MEDICAL IMAGING INC

  公开号：WO2013036869A2

  公开（公告）日：2013-03-14

  The present invention relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, the imaging agent is enriched in 18 F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs. In some embodiments, methods and compositions for assessing perfusion and innervation mismatch in a portion of a subject are provided.
• Boschi,G. et al., European Journal of Medicinal Chemistry, 1977, vol. 12, p. 227 - 230
  作者：Boschi,G. et al.

  DOI：——

  日期：——