1-甲基-6-哌嗪-1-基-1H-吡啶-2-酮 | 216377-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-甲基-6-哌嗪-1-基-1H-吡啶-2-酮
• 英文名称: 1-methyl-6-piperazin-1-yl-1H-pyridin-2-one
• 英文别名: 4-(1-methyl-1H-pyrid-6-on-2-yl)-piperazine；1-Methyl-6-piperazin-1-ylpyridin-2-one
• CAS: 216377-97-8
• 化学式: C₁₀H₁₅N₃O
• 分子量: 193.249
• InChiKey: ODIQMDWEJLNOIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲基-6-哌嗪-1-基-1H-吡啶-2-酮 、 9,10-二氢麦角酸 生成 6-[4-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
  参考文献：
  名称：

  Ergoline derivatives as highly potent and selective antagonists at the somatostatin sst1 receptor

  摘要：

  Non-peptidic compounds containing the octahydro-indolo[4,3-fg]quinoline (ergoline) structural element have been optimized into derivatives with high affinity (pK(d) r sst(1) > 9) and selectivity (> 1000-fold for h sst(1) over h sst(2)-h sst(5)) for the somatostatin sst(1) receptor. In functional assays, these ergolines act as antagonists at human recombinant sst(1) receptors. Pharmacokinetic studies in rodents reveal good oral bioavailability and brain penetration for some of these compounds. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.030

文献信息

• Hydroxamate-Based Inhibitors of Deacetylases
  申请人：CHO Young Shin

  公开号：US20110053925A1

  公开（公告）日：2011-03-03

  The present teachings relate to compounds of Formula I: and pharmaceutically acceptable salts, hydrates, esters, and prodrugs thereof, wherein R 1 , R 2 , R 3 , ring A, and are as defined herein. The present teachings also provide methods of preparing compounds of Formula I and methods of using compounds of Formula I in treating, inhibiting, or preventing pathologic conditions or disorders mediated wholly or in part by deacetylases.

  本教导涉及到Formula I的化合物，以及其药用盐、水合物、酯和前药，其中R1、R2、R3、环A和如此定义。本教导还提供了制备Formula I化合物的方法，以及利用Formula I化合物治疗、抑制或预防完全或部分由去乙酰酶介导的病理状况或紊乱的方法。
• [EN] HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES<br/>[FR] COMPOSÉS À BASE D'HYDROXAMATE EN TANT QU'INHIBITEURS DES DÉSACÉTYLASES
  申请人：NOVARTIS AG

  公开号：WO2012025155A1

  公开（公告）日：2012-03-01

  The present teachings relate to compounds of Formula I and pharmaceutically acceptable salts, hydrates, esters, and prodrugs thereof, wherein R1, R2, R3, ring A, and ( formula II) are as defined herein. The present teachings also provide methods of preparing compounds of Formula I and methods of using compounds of Formula I in treating, inhibiting, or preventing pathologic conditions or disorders mediated wholly or in part by deacetylases.

  本教导涉及到Formula I的化合物及其药用盐、水合物、酯和前药，其中R1、R2、R3、环A和（Formula II）如本文所定义。本教导还提供了制备Formula I化合物的方法，以及利用Formula I化合物治疗、抑制或预防完全或部分由去乙酰化酶介导的病理状况或疾病的方法。
• Decahydroisoquinoline derivatives as novel non-peptidic, potent and subtype-selective somatostatin sst3 receptor antagonists
  作者：Thomas Troxler、Konstanze Hurth、Karl-Heinrich Schuh、Philippe Schoeffter、Daniel Langenegger、Albert Enz、Daniel Hoyer

  DOI：10.1016/j.bmcl.2010.01.063

  日期：2010.3

  Starting from non-peptidic sst(1)-selective somatostatin receptor antagonists, first compounds with mixed sst(1)/sst(3) affinity were identified by directed structural modifications. Systematic optimization of these initial leads afforded novel, enantiomerically pure, highly potent and sst(3)-subtype selective somatostatin antagonists based on a (4S,4aS,8aR)-decahydroisoquinoline-4-carboxylic acid core moiety. These compounds can efficiently be synthesized and show promising PK properties in rodents. (C) 2010 Elsevier Ltd. All rights reserved.
• Discovery of novel non-peptidic β-alanine piperazine amide derivatives and their optimization to achiral, easily accessible, potent and selective somatostatin sst1 receptor antagonists
  作者：Thomas Troxler、Konstanze Hurth、Henri Mattes、Mahavir Prashad、Philippe Schoeffter、Daniel Langenegger、Albert Enz、Daniel Hoyer

  DOI：10.1016/j.bmcl.2009.01.072

  日期：2009.3

  Structural simplification of the core moieties of obeline and ergoline somatostatin sst(1) receptor antagonists, followed by systematic optimization, led to the identification of novel, highly potent and selective sst(1) receptor antagonists. These achiral, non-peptidic compounds are easily prepared and show promising PK properties in rodents. (C) 2009 Elsevier Ltd. All rights reserved.
• ERGOLINE DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS
  申请人：Novartis AG

  公开号：EP0986558A2

  公开（公告）日：2000-03-22