2-(5-甲基异恶唑-3-基)乙酸乙酯 | 60148-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(5-甲基异恶唑-3-基)乙酸乙酯
• 中文别名: 5-甲基异恶唑-3-乙酸乙酯
• 英文名称: Ethyl 5-methyl-isoxazol-3-yl-acetat
• 英文别名: (5-methyl-isoxazol-3-yl)-acetic acid ethyl ester；ethyl 2-(5-methyl-1,2-oxazol-3-yl)acetate
• CAS: 60148-50-7
• 化学式: C₈H₁₁NO₃
• 分子量: 169.18
• InChiKey: RSSDUNGORDXKPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(5-甲基异恶唑-3-基)乙酸乙酯 在 盐酸 、 水 作用下， 以89%的产率得到(5-甲基-1,2-恶唑-3-基)乙酸
  参考文献：
  名称：

  Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors

  摘要：

  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。

  公开号：

  US20170073343A1
• 作为产物：
  描述：

  (5-甲基-1,2-恶唑-3-基)乙腈 以94%的产率得到
  参考文献：
  名称：

  GAINER J.; HOWARTH G. A.; HOYLE W.; ROBERTS S. M.; SUSCHITZKY H., J. CHEM. SOC. PERKIN TRANS, PART 1 , 1976, NO 9, 994-997

  摘要：

  DOI：

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。
• 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。
• Isoxazoles. XVIII. Synthesis and Pharmacological Properties of 5-Aminoalkyl- and 3-Aminoalkylisoxazoles and Related Derivatives
  作者：Hideo. Kan[UNK]o、Ikuo. Adachi、Ryonosuke. Kido、Katumi. Hirose

  DOI：10.1021/jm00315a028

  日期：1967.5
• Synthesis and evaluation of novel α-heteroaryl-phenylpropanoic acid derivatives as PPARα/γ dual agonists
  作者：Agustin Casimiro-Garcia、Christopher F. Bigge、Jo Ann Davis、Teresa Padalino、James Pulaski、Jeffrey F. Ohren、Patrick McConnell、Christopher D. Kane、Lori J. Royer、Kimberly A. Stevens、Bruce Auerbach、Wendy Collard、Christine McGregor、Kun Song

  DOI：10.1016/j.bmc.2009.09.001

  日期：2009.10

  The synthesis of a new series of phenylpropanoic acid derivatives incorporating an heteroaryl group at the alpha-position and their evaluation for binding and activation of PPAR alpha and PPAR gamma are presented in this report. Among the new compounds, (S)-3-4-[3-(5-methyl-2-phenyl-oxazol-4-yl)-propyl]-phenyl}-2-1,2,3- triazol-2-yl-propionic acid (17j), was identified as a potent human PPAR alpha/gamma dual agonist (EC50 = 0.013 and 0.061 mu M, respectively) with demonstrated oral bioavailability in rat and dog. 17j was shown to decrease insulin levels, plasma glucose, and triglycerides in the ZDF female rat model. In the human apolipoprotein A-1/CETP transgenic mouse model 17j produced increases in hApoA1 and HDL-C and decreases in plasma triglycerides. The increased potency for binding and activation of both PPAR subtypes observed with 17j when compared to previous analogs in this series was explained based on results derived from crystallographic and modeling studies. (C) 2009 Elsevier Ltd. All rights reserved.
• 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：EP3350178B1

  公开（公告）日：2021-10-20