1-[6-(4-morpholynyl)-3-piridazinyl]ethanone | 77407-74-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[6-(4-morpholynyl)-3-piridazinyl]ethanone
• 英文别名: 4-(3-acetylpyridazin-6-yl)morpholine；1-(6-Morpholin-4-ylpyridazin-3-yl)ethanone
• CAS: 77407-74-0
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: YLENUFHESIOJJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[6-(4-morpholynyl)-3-piridazinyl]ethanone 在 氢溴酸 、 溴 、 碳酸氢钠 作用下， 以 水 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  EP2272844

  摘要：

  公开号：
• 作为产物：
  描述：

  吗啉 、 3-乙酰基-6-氯哒嗪 以 乙醇 为溶剂， 反应 4.0h， 以98%的产率得到1-[6-(4-morpholynyl)-3-piridazinyl]ethanone
  参考文献：
  名称：

  5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure–activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors

  摘要：

  4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.023

文献信息

• FIVE-MEMBERED RING COMPOUND
  申请人：Fujita Hitoshi

  公开号：US20110039848A1

  公开（公告）日：2011-02-17

  Provided are: a five-membered ring compound represented by formula (1) or a pharmaceutically acceptable salt thereof; and a medicine containing the compound or salt. The compound or salt inhibits the infiltration of leukocytes such as eosinophils and lymphocytes, is effective as a therapeutic agent for various kinds of inflammation, and is so safe that the compound or salt can be taken for long. In formula (1), R 1 is (substituted) phenyl or pyridyl; R 2 is (substituted) pyrazinediyl, pyrimidinediyl, or pyridazinediyl; R 3 to R 5 each is alkyl (provided that —N(R 4 )R 5 may be morpholino); and Y 2 is alkylene.

  提供的是：由式（1）表示的五元环化合物或其药学上可接受的盐；以及含有该化合物或盐的药物。该化合物或盐抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，对各种炎症有效，且安全性高，可长期服用。在式（1）中，R1是（取代）苯基或吡啶基；R2是（取代）吡嗪二基、嘧啶二基或吡嗪二基；R3至R5分别是烷基（但—N（R4）R5可以是吗啡基）；Y2是烷基。
• KOSARY J., MAGY. KEM. FOLYOIRAT, 1980, 86, NO 12, 564-566
  作者：KOSARY J.

  DOI：——

  日期：——
• 5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure–activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors
  作者：Mark A. Matulenko、Chih-Hung Lee、Meiqun Jiang、Robin R. Frey、Marlon D. Cowart、Erol K. Bayburt、Stanley DiDomenico、Gregory A. Gfesser、Arthur Gomtsyan、Guo Zhu Zheng、Jeffery A. McKie、Andrew O. Stewart、Haixia Yu、Kathy L. Kohlhaas、Karen M. Alexander、Steve McGaraughty、Carol T. Wismer、Joseph Mikusa、Kennan C. Marsh、Ronald D. Snyder、Marilyn S. Diehl、Elizabeth A. Kowaluk、Michael F. Jarvis、Shripad S. Bhagwat

  DOI：10.1016/j.bmc.2005.03.023

  日期：2005.6

  4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay). (c) 2005 Elsevier Ltd. All rights reserved.
• EP2272844
  申请人：——

  公开号：——

  公开（公告）日：——