1-(3-羟基-6-甲基吡啶-2-基)乙酮 | 1038399-45-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-羟基-6-甲基吡啶-2-基)乙酮
• 英文名称: 1-(3-Hydroxy-6-methylpyridin-2-yl)ethanone
• CAS: 1038399-45-9
• 化学式: C₈H₉NO₂
• 分子量: 151.165
• InChiKey: ZHXFIAWKTKFCKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-甲基-1H-吲唑-5-羧酸 、 1-(3-羟基-6-甲基吡啶-2-基)乙酮 、 N-叔丁氧羰基-4-哌啶酮 在 四氢吡咯 、 盐酸 作用下， 以 甲苯 、 1,4-二氧六环 为溶剂， 生成 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
  参考文献：
  名称：

  Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2

  摘要：

  Screening Pfizer's compound library resulted in the identification of weak acetyl-CoA carboxylase inhibitors, from which were obtained rACC1 CT-domain co-crystal structures. Utilizing HTS hits and structure-based drug discovery, a more rigid inhibitor was designed and led to the discovery of sub-micromolar, spirochromanone non-specific ACC inhibitors. Low nanomolar, non-specific ACC-isozyme inhibitors that exhibited good rat pharmacokinetics were obtained from this chemotype. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.091

文献信息

• N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS
  申请人：Pfizer Inc.

  公开号：EP2947082A1

  公开（公告）日：2015-11-25

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  本发明提供了一种式 (I) 的化合物 或该化合物的药学上可接受的盐，其中 R1、R2、R3 和 R4 如本文所述；其药物组合物；及其在治疗通过抑制动物体内乙酰-CoA 羧化酶调节的疾病、病症或失调中的用途。
• US7183278B1
  申请人：——

  公开号：US7183278B1

  公开（公告）日：2007-02-27
• [EN] N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] INHIBITEURS DE N1-PYRAZOLOSPIROCÉTONE ACÉTYL-COA CARBOXYLASE
  申请人：PFIZER

  公开号：WO2011058474A1

  公开（公告）日：2011-05-19

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal.
• Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2
  作者：Jeffrey W. Corbett、Kevin D. Freeman-Cook、Richard Elliott、Felix Vajdos、Francis Rajamohan、Darcy Kohls、Eric Marr、Hailong Zhang、Liang Tong、Meihua Tu、Sharad Murdande、Shawn D. Doran、Janet A. Houser、Wei Song、Christopher J. Jones、Steven B. Coffey、Leanne Buzon、Martha L. Minich、Kenneth J. Dirico、Susan Tapley、R. Kirk McPherson、Eliot Sugarman、H. James Harwood、William Esler

  DOI：10.1016/j.bmcl.2009.04.091

  日期：2010.4

  Screening Pfizer's compound library resulted in the identification of weak acetyl-CoA carboxylase inhibitors, from which were obtained rACC1 CT-domain co-crystal structures. Utilizing HTS hits and structure-based drug discovery, a more rigid inhibitor was designed and led to the discovery of sub-micromolar, spirochromanone non-specific ACC inhibitors. Low nanomolar, non-specific ACC-isozyme inhibitors that exhibited good rat pharmacokinetics were obtained from this chemotype. (C) 2010 Elsevier Ltd. All rights reserved.