2-(吡嗪-3-基)乙酸甲酯 | 37444-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(吡嗪-3-基)乙酸甲酯
• 英文名称: methyl pyridazin-3-yl-acetate
• 英文别名: methyl 2-(pyridazin-3-yl)acetate；methyl 2-pyridazin-3-ylacetate
• CAS: 37444-32-9
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: GAGFGBBDBCPGQY-UHFFFAOYSA-N

物化性质

• 沸点：
  143 °C(Press: 1 Torr)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(吡嗪-3-基)乙酸甲酯 、 ammonium hydroxide 生成 Pyridazinylacetamide
  参考文献：
  名称：

  OHSAWA A.; UEZU T.; IGETA H., CHEM. AND PHARM. BULL., 1978, 26, NO 12, 3633-3640

  摘要：

  DOI：
• 作为产物：
  描述：

  碳酸二甲酯 在 正丁基锂 、 N,N-二异丙基乙胺 、 水 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 以11%的产率得到2-(吡嗪-3-基)乙酸甲酯
  参考文献：
  名称：

  Benzamide derivatives and uses related thereto

  摘要：

  公式I的苯甲酰胺衍生物已被描述，并具有治疗效用，特别是在治疗糖尿病、肥胖和相关疾病和紊乱方面：其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义。

  公开号：

  US20070299080A1

文献信息

• Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20170073343A1

  公开（公告）日：2017-03-16

  The present invention provides novel imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives of Formula (I), and the pharmaceutically acceptable salts thereof wherein R 1 , R 1a , R 1b , R 2 , R 4 , R 5 , R 6 , X and Z are as defined in the specification. The invention is also directed to pharmaceutical compositions comprising the compounds of Formula (I) and to use of the compounds in the treatment of diseases associated with LRRK2, such as neurodegenerative diseases including Parkinson's disease or Alzheimer's disease, cancer, Crohn's disease or leprosy.

  本发明提供了新颖的咪唑并[4,5-c]喹啉和咪唑并[4,5-c][1,5]萘啉衍生物的化合物(I)及其药学上可接受的盐，其中R1、R1a、R1b、R2、R4、R5、R6、X和Z如规范中所定义。该发明还涉及包含化合物(I)的药物组合物，以及利用这些化合物治疗与LRRK2相关的疾病，如神经退行性疾病包括帕金森病或阿尔茨海默病、癌症、克罗恩病或麻风病。
• Synthesis of Fused Imidazole-Containing Ring Systems via Dual Oxidative Amination of C(sp³)–H Bonds
  作者：Georgette Castanedo、Yanzhou Liu、James J. Crawford、Marie-Gabrielle Braun

  DOI：10.1021/acs.joc.6b01517

  日期：2016.9.16

  A general and efficient method for a metal-free one-pot synthesis of highly substituted fused imidazole-containing 5,5- and 5,6-fused bicyclic heterocycles is described. Starting from commercially available substrates and reagents, the reaction proceeds through two C–N bond formations and an oxidative dehydrogenation to form highly substituted products in good to excellent yield.

  描述了一种通用且有效的方法，用于无金属一锅合成高度取代的稠合的含咪唑的5,5-和5,6-稠合的双环杂环。从可商购的底物和试剂开始，该反应通过两个C–N键的形成和氧化脱氢进行，以形成高取代率的产品，收率好至极好。
• Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors
  申请人：Pfizer Inc.

  公开号：US10039753B2

  公开（公告）日：2018-08-07

  The present invention provides novel imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives of Formula (I), and the pharmaceutically acceptable salts thereof wherein R1, R1a, R1b, R2, R4, R5, R6, X and Z are as defined in the specification. The invention is also directed to pharmaceutical compositions comprising the compounds of Formula (I) and to use of the compounds in the treatment of diseases associated with LRRK2, such as neurodegenerative diseases including Parkinson's disease or Alzheimer's disease, cancer, Crohn's disease or leprosy.

  本发明提供了式 (I) 的新型咪唑并[4,5-c]喹啉和咪唑并[4,5-c][1,5]萘啶衍生物及其药学上可接受的盐类 其中 R1、R1a、R1b、R2、R4、R5、R6、X 和 Z 如说明书中所定义。本发明还涉及包含式（I）化合物的药物组合物，以及该化合物在治疗与 LRRK2 有关的疾病中的用途，如神经退行性疾病，包括帕金森病或阿尔茨海默病、癌症、克罗恩病或麻风病。
• Tricyclic pyridones as functionally selective human GABAAα2/3 receptor-ion channel ligands
  作者：James Crawforth、John R. Atack、Susan M. Cook、Karl R. Gibson、Alan Nadin、Andrew P. Owens、Andrew Pike、Michael Rowley、Alison J. Smith、Bindi Sohal、Francine Sternfeld、Keith Wafford、Leslie J. Street

  DOI：10.1016/j.bmcl.2004.01.057

  日期：2004.4

  A series of tricyclic pyridones has been evaluated as benzodiazepine site ligands with functional selectivity for the alpha(3) over the alpha(1) containing subtype of the human GABA(A) receptor ion channel. This investigation led to the identification of a high affinity, functionally selective, orally bioavailable benzodiazepine site ligand that demonstrated activity in rodent anxiolysis models and reduced sedation relative to diazepam. (C) 2004 Elsevier Ltd. All rights reserved.
• BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY
  申请人：Amgen Inc.

  公开号：EP2044004B1

  公开（公告）日：2012-08-15