6-(4-吗啉)-2-吡啶羧酸乙酯 | 1061750-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-(4-吗啉)-2-吡啶羧酸乙酯
• 英文名称: ethyl 6-(morpholin-4-yl)pyridine-2-carboxylate
• 英文别名: Ethyl 6-morpholinopyridine-2-carboxylate；ethyl 6-morpholin-4-ylpyridine-2-carboxylate
• CAS: 1061750-15-9
• 化学式: C₁₂H₁₆N₂O₃
• 分子量: 236.271
• InChiKey: CCLSAEXHEUDNJO-UHFFFAOYSA-N

物化性质

• 沸点：
  410.2±45.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  6-(4-吗啉)-2-吡啶羧酸乙酯 在 甲醇 、 氨 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 17.25h， 生成 6-吗啉-4-基吡啶-2-甲腈
  参考文献：
  名称：

  WO2008/116185

  摘要：

  公开号：
• 作为产物：
  描述：

  吗啉 、 6-溴-2-吡啶羧酸 在 三乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 14.5h， 生成 6-(4-吗啉)-2-吡啶羧酸乙酯
  参考文献：
  名称：

  WO2008/116185

  摘要：

  公开号：

文献信息

• SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS
  申请人：Chen Youngsheng

  公开号：US20100249084A1

  公开（公告）日：2010-09-30

  Compounds of formula (I): wherein R 1 , R 2 and R 3 are as defined herein, including pharmaceutically acceptable salt, ester, solvate or stereoisomer thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof.

  公式(I)的化合物：其中R1，R2和R3的定义如本文所述，包括其药学上可接受的盐，酯，溶剂合物或立体异构体。本发明还揭示了含有该化合物的组合物与药学上可接受的载体的组合物，以及与其有关的使用方法。
• Lead Optimization of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A_2A Adenosine Receptor Antagonists for the Treatment of Parkinson’s Disease
  作者：Xiaohu Zhang、John E. Tellew、Zhiyong Luo、Manisha Moorjani、Emily Lin、Marion C. Lanier、Yongsheng Chen、John P. Williams、John Saunders、Sandra M. Lechner、Stacy Markison、Tanya Joswig、Robert Petroski、Jaime Piercey、William Kargo、Siobhan Malany、Mark Santos、Raymond S. Gross、Jenny Wen、Kayvon Jalali、Zhihong O’Brien、Carol E. Stotz、María I. Crespo、José-Luis Díaz、Deborah H. Slee

  DOI：10.1021/jm800851u

  日期：2008.11.27

  4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-pyrimidines bearing substituted pyridyl groups as C-6 substituents were prepared as selective adenosine hA(2A) receptor antagonists for the treatment of Parkinson's disease. The 5-methoxy-3-pyridyl derivative 6g (hA(2A) K-i 2.3 nM, hA(1) K-i 190 nM) was orally active at 3 mg/kg in a rat HIC model but exposure was poor in nonrodent species, presumably due to poor aqueous solubility. Follow-on compound 16a (hA(2A) K-i 0.83 nM, hA(1) K-i 130 nM), bearing a 6-(morpholin-4-yl)-2-pyridyl substituent at C-6, had improved solubility and was orally efficacious (3 mg/kg, HIC) but showed time-dependent cytochrome P450 3A4 inhibition, possibly related to morpholine ring metabolism. Compound 16j (hA(2A) K-i 0.44 nM, hA(1) K-i 80 nM), bearing a 6-(4-methoxypiperidin-1-yl)-2-pyridyl substituent at C-6, was sparingly soluble but had good oral exposure in rodent and nonrodent species, had no cytochrome P450 or human ether-a-go-go related gene channel issues, and was orally efficacious at 1 mg/kg in HIC and at 3 mg/kg for potentiation Of L-dopa-induced contralateral rotations in 6-hydroxydopamine-lesioned rats.
• SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20180186801A1

  公开（公告）日：2018-07-05

  Provided herein are novel substituted bicyclic aza-heterocycle sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.
• US9556201B2
  申请人：——

  公开号：US9556201B2

  公开（公告）日：2017-01-31
• US9957271B2
  申请人：——

  公开号：US9957271B2

  公开（公告）日：2018-05-01