(S)-1-(3-pyridyl)-2-(methylamino)ethanol | 556025-55-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-1-(3-pyridyl)-2-(methylamino)ethanol
• 英文别名: (1S)-2-(methylamino)-1-pyridin-3-ylethanol
• CAS: 556025-55-9
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: ZMNPYUZBXUXOLC-MRVPVSSYSA-N

物化性质

• 沸点：
  300.2±27.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-1-(3-pyridyl)-2-(methylamino)ethanol 、 N-(4-chlorobenzyl)-9-(chloromethyl)-1-methyl-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-(4-chlorobenzyl)-9-{[[(2S)-2-hydroxy-2-pyridin-3-ylethyl](methyl)amino]methyl}-1-methyl-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide
  参考文献：
  名称：

  The design and development of 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides as inhibitors of human cytomegalovirus polymerase

  摘要：

  Discovery efforts were focused on identifying a non-nucleoside antiviral for treating infections caused by human cytomegalovirus (HCMV) with equal or better potency and diminished toxicity compared to current therapeutics. This Letter describes the HCMV DNA polymerase inhibition and in vitro antiviral activity of various 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.094
• 作为产物：
  描述：

  (R)-1-(3-吡啶基)-2-氯乙醇 在 氢氧化钾 、 potassium tert-butylate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 3.25h， 生成 (S)-1-(3-pyridyl)-2-(methylamino)ethanol
  参考文献：
  名称：

  Solvent and in situ catalyst preparation impacts upon Noyori reductions of aryl-chloromethyl ketones: application to syntheses of chiral 2-amino-1-aryl-ethanols

  摘要：

  As part of medicinal chemistry efforts we found it necessary to develop general syntheses of highly enantiomerically enriched 1-aryl-2-chloroethanols and 1-aryl-2-methylaminoethanols. A survey of literature methods suggested that a truly general approach had not yet been reported, encouraging us to undertake the development of such a methodology. This study describes the design, development, and reduction to practice of a general synthesis of chiral 1-aryl-2-chloroethanols and the transformation of these entities to highly enantiomerically enriched 1-aryl-2-methylaminoethanols. Of particular importance were observations of the impact of solvent and the method of catalyst preparation on the yield and enantiomerical excess of chlorohydrins prepared via Noyori transfer hydrogenations of aryl-chloromethyl ketones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.017

文献信息

• 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。
• ANTIVIRAL COMPOUNDS
  申请人：——

  公开号：US20040242884A1

  公开（公告）日：2004-12-02

  The invention provides a compound of formula I: 1 wherein G, R 2 , R 3 , and R 4 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 preventing or treating a herpes virus infection using such compounds or salts.

  本发明提供了一种I式化合物：1，其中G，R2，R3和R4具有规范中定义的任何值，或其药学上可接受的盐，以及用于制备这种化合物或盐的有用中间体和过程，以及使用这种化合物或盐预防或治疗疱疹病毒感染的方法。
• Antiviral compounds
  申请人：Larsen Scott D.

  公开号：US06852731B2

  公开（公告）日：2005-02-08

  The invention provides a compound of formula I: wherein G, R 2 , R 3 , and R 4 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 preventing or treating a herpesvirus infection using such compounds or salts.

  该发明提供了化合物I的公式：其中G，R2，R3和R4具有规范中定义的任何值或其药学上可接受的盐，以及用于制备这样的化合物或盐的中间体和过程，以及使用这样的化合物或盐预防或治疗疱疹病毒感染的方法。
• PYRIDOQUINOXALINE ANTIVIRALS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1458719A1

  公开（公告）日：2004-09-22