1-(3-甲氧基苯基)-2-(甲基氨) 乙醇 | 92188-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(3-甲氧基苯基)-2-(甲基氨) 乙醇
• 中文别名: 1-(3-甲氧基苯基)-2-(甲基氨)乙醇
• 英文名称: 1-(3-methoxyphenyl)-2-methylaminoethanol
• 英文别名: 1-(3-Methoxy-phenyl)-2-methylamino-aethanol；rac-1-(3-methoxyphenyl)-2-(methylamino)ethanol；1-(3-Methoxyphenyl)-2-(methylamino)ethanol
• CAS: 92188-49-3
• 化学式: C₁₀H₁₅NO₂
• 分子量: 181.235
• InChiKey: ZIGVURPVSKJORL-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  按规定使用和贮存的不会分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  1-(3-甲氧基苯基)-2-(甲基氨) 乙醇 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 2-methylamino-N-nitroso-1-(m-methoxyphenyl)-1-ethanol
  参考文献：
  名称：

  Synthesis, in Vitro Activity, and Three-Dimensional Quantitative Structure−Activity Relationship of Novel Hydrazine Inhibitors of Human Vascular Adhesion Protein-1

  摘要：

  Vascular adhesion protein-1 (VAP-1) belongs to the semicarbazide-sensitive amine oxidases (SSAOs) that convert amines into aldehydes. SSAOs are distinct from the mammalian monoamine oxidases (MAOs), but their substrate specificities are partly overlapping. VAP-1 has been proposed as a target for anti-inflammatory drug therapy because of its role in leukocyte adhesion to endothelium. Here, we describe the synthesis and in vitro activities of novel series of VAP-1 selective inhibitors. In addition, the molecular dynamics simulations performed for VAP-1 reveal that the movements of Met211, Ser496, and especially Leu469 can enlarge the ligand-binding pocket, allowing larger ligands than those seen in the crystal structures to bind. Combining the data from molecular dynamics simulations, docking, and in vitro measurements, the three-dimensional quantitative structure-activity relationship (3D QSAR) models for VAP-1 (q(LOO)(2): 0.636; r(2:) 0.828) and MAOs (q(LOO)(2): 0.749, r(2): 0.840) were built and employed in the development of selective VAP-1 inhibitors.

  DOI：

  10.1021/jm100337z
• 作为产物：
  描述：

  2-(benzyl(methyl)amino)-1-(3'-methoxyphenyl)ethanone hydrochloride 在 甲醇 、 palladium on activated charcoal 作用下， 生成 1-(3-甲氧基苯基)-2-(甲基氨) 乙醇
  参考文献：
  名称：

  Iwao et al., Tanabe seiyaku kenkyu nenpo = Annual report of Gohei Tanabe Co., 1956, vol. 1, # 1, p. 17,19

  摘要：

  DOI：

文献信息

• Asymmetric Hydrogenation of α-Primary and Secondary Amino Ketones: Efficient Asymmetric Syntheses of (−)-Arbutamine and (−)-Denopamine
  作者：Gao Shang、Duan Liu、Scott E. Allen、Qin Yang、Xumu Zhang

  DOI：10.1002/chem.200700594

  日期：2007.9.17

  Two beta-receptor agonists (-)-denopamine and (-)-arbutamine were prepared in good yields and enantioselectivities by asymmetric hydrogenation of unprotected amino ketones for the first time by using Rh catalysts bearing electron-donating phosphine ligands. A series of alpha-primary and secondary amino ketones were synthesized and hydrogenated to produce various 1,2-amino alcohols in good yields and

  通过使用带有给电子膦配体的Rh催化剂进行不保护的氨基酮的不对称氢化，以高收率和对映选择性制备了两种β受体激动剂（-）-地巴胺和（-）-arbutamine。合成了一系列的α-伯氨基和仲氨基酮并进行氢化，以高收率和良好的对映选择性生产出各种1,2-氨基醇。这种Rh电子给体的膦催化的不对称氢化反应代表了手性氨基醇不对称合成的最有希望和最方便的方法之一。
• Antiviral agents
  申请人：——

  公开号：US20040138449A1

  公开（公告）日：2004-07-15

  The invention provides a compound of formula I: 1 wherein G, R 2 , and R 3 have any of the values defined in the specification, or a pharmaceutically acceptable salt thereof, as well as processes and intermediates useful for preparing such compounds or salts, and methods of treating a herpesvirus infection using such compounds or salts.

  本发明提供了一种公式I的化合物： 1 其中G，R 2 ，和R 3 具有规范中定义的任何值，或其药用可接受盐，以及用于制备该化合物或盐的有用过程和中间体，以及使用该化合物或盐治疗疱疹病毒感染的方法。
• Pyridoquinoxaline antivirals
  申请人：——

  公开号：US20030207877A1

  公开（公告）日：2003-11-06

  The present invention provides a compound of formula I 1 or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 and R 3 are as defined in the specification. The compounds are useful for the treatment of viral infections.

  本发明提供了一种具有以下结构的化合物I或其药学上可接受的盐，其中R1、R2和R3如规范中定义。这些化合物对于治疗病毒感染是有用的。
• 7-Oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamides: Synthesis and biological activity of a new class of highly potent inhibitors of human cytomegalovirus DNA polymerase
  作者：Scott D. Larsen、Zhijun Zhang、Brian A. DiPaolo、Peter R. Manninen、Douglas C. Rohrer、Michael J. Hageman、Todd A. Hopkins、Mary L. Knechtel、Nancee L. Oien、Bob D. Rush、Francis J. Schwende、Kevin J. Stefanski、Janet L. Wieber、Karen F. Wilkinson、Kathyrn M. Zamora、Michael W. Wathen、Roger J. Brideau

  DOI：10.1016/j.bmcl.2007.05.010

  日期：2007.7

  We report a new class of non-nucleoside antivirals, the 7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamides, some of which possess remarkable potency versus a broad spectrum of herpesvirus DNA polymerases and excellent selectivity compared to human DNA polymerases. A critical factor in the level of activity is hypothesized to be conformational restriction of the key 2-aryl-2-hydroxyethylamine sidechain

  我们报告了一种新型的非核苷类抗病毒药，即7-氧代-4,7-二氢噻吩并[3,2-b]吡啶-6-羧酰胺，其中一些具有显着的效力，与广谱的疱疹病毒DNA聚合酶相比，具有出色的杀伤力。与人类DNA聚合酶相比具有更高的选择性。假定活性水平中的关键因素是关键的2-芳基-2-羟基乙胺侧链被相邻的甲基构象限制。
• [EN] ARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DERIVES D'ARYL-ETHANOLAMINE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2004022568A1

  公开（公告）日：2004-03-18

  The present invention provides a compound of formula as describedherein, which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种如下所述的化合物，该化合物可用作抗病毒剂，特别是用作抗疱疹病毒家族的药剂。