4-(benzyloxy)-1-(4-([2-(diethylamino)ethyl](methyl)-amino)phenyl)pyridin-2(1H)-one | 927892-36-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(benzyloxy)-1-(4-([2-(diethylamino)ethyl](methyl)-amino)phenyl)pyridin-2(1H)-one
• 英文别名: 2-bromooctanoic acid；1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}4-(benzyloxy)-pyridin-2(1H)-one；1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}-4-(benzyloxy)-pyridin-2(1H)-one；1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
• CAS: 927892-36-2
• 化学式: C₂₅H₃₁N₃O₂
• 分子量: 405.54
• InChiKey: YZYWRIRBKREDKI-UHFFFAOYSA-N

物化性质

• 沸点：
  597.2±50.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-苄氧基-2(1H)-吡啶酮 在 吡啶 、 甲醇 、 lithium aluminium tetrahydride 、 二苯基膦叠氮化物 、 potassium tert-butylate 、 copper diacetate 、 sodium cyanoborohydride 、 三乙胺 、 sodium hydroxide 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 70.0h， 生成 4-(benzyloxy)-1-(4-([2-(diethylamino)ethyl](methyl)-amino)phenyl)pyridin-2(1H)-one
  参考文献：
  名称：

  Discovery of novel phenylpyridone derivatives as potent and selective MCH1R antagonists

  摘要：

  The design, synthesis and structure-activity relationships of a novel class of N-phenylpyridone MCH1R antagonists are described. The core part of the N-phenylpyridone structure was newly designed and the side chain moieties that were attached to the core part were extensively explored. As a result of optimization of the N-phenylpyridone leads, we successfully developed the orally available, and brain-penetrable MCH1R selective antagonist 7c, exhibiting excellent anti-obese effect in diet-induced obese (DIO) mice. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.12.002

文献信息

• Phenylpyridone derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07875633B2

  公开（公告）日：2011-01-25

  A compound represented by the formula (I) is contained as an active ingredient: wherein R1 and R2 independently represent a hydrogen atom, a lower alkyl group or the like, or R1 together with a nitrogen atom to which L, Z2 and R1 are attached may form an aliphatic nitrogenated heterocyclic group and R1 and R2 together with a nitrogen atom to which they are attached may form an aliphatic nitrogenated heterocyclic group; X represents a methine group or a nitrogen atom; Y represents —CH2—O—, —CH═CH— or the like; Z1 represents a single bond, a C1-4 alkylene group or the like; Z2 represents a single bond or a C1-4 alkylene group; L represents a methylene group, a C3-8 cycloalkylene group or the like; and Ar represents an aromatic carbocyclic group or the like. The compound is useful as a pharmaceutical for a central nerves system disease, a cardiovascular disease or a metabolic disease.

  化合物的化学式为（I），其中含有一种作为活性成分的化合物：其中R1和R2独立地表示氢原子、低碳烷基或类似物，或者R1与一个与L、Z2和R1相连的氮原子一起可以形成一个脂肪族含氮杂环基团，R1和R2与它们相连的氮原子一起可以形成一个脂肪族含氮杂环基团；X表示一个甲基基团或一个氮原子；Y表示—CH2—O—、—CH═CH—或类似物；Z1表示一个单键、一个C1-4烷基链或类似物；Z2表示一个单键或一个C1-4烷基链；L表示一个亚甲基基团、一个C3-8环烷基链或类似物；Ar表示一个芳香族碳环基团或类似物。该化合物可用作治疗中枢神经系统疾病、心血管疾病或代谢疾病的药物。
• Phenylpyridone Derivative
  申请人：Naya Akira

  公开号：US20090137587A1

  公开（公告）日：2009-05-28

  A compound represented by the formula (I) is contained as an active ingredient: wherein R 1 and R 2 independently represent a hydrogen atom, a lower alkyl group or the like, or R 1 together with a nitrogen atom to which L, Z 2 and R 1 are attached may form an aliphatic nitrogenated heterocyclic group and R 1 and R 2 together with a nitrogen atom to which they are attached may form an aliphatic nitrogenated heterocyclic group; X represents a methine group or a nitrogen atom; Y represents —CH 2 —O—, —CH═CH— or the like; Z 1 represents a single bond, a C 1-4 alkylene group or the like; Z 2 represents a single bond or a C 1-4 alkylene group; L represents a methylene group, a C 3-8 cycloalkylene group or the like; and Ar represents an aromatic carbocyclic group or the like. The compound is useful as a pharmaceutical for a central nerves system disease, a cardiovascular disease or a metabolic disease.

  化合物的化学式为（I），其中包含作为活性成分的化合物：其中R1和R2独立地表示氢原子，低碳基团或类似物，或者R1与L，Z2和R1附着的氮原子一起可以形成脂肪族氮杂环基团，R1和R2与它们附着的氮原子一起可以形成脂肪族氮杂环基团；X表示亚甲基基团或氮原子；Y表示-CH2-O-，-CH═CH-或类似物；Z1表示单键，C1-4烷基撇或类似物；Z2表示单键或C1-4烷基撇；L表示亚甲基基团，C3-8环烷基撇或类似物；Ar表示芳香族碳环基团或类似物。该化合物可用作中枢神经系统疾病、心血管疾病或代谢性疾病的药物。
• PHENYLPYRIDONE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1921065B1

  公开（公告）日：2010-10-20
• US7875633B2
  申请人：——

  公开号：US7875633B2

  公开（公告）日：2011-01-25
• Discovery of novel phenylpyridone derivatives as potent and selective MCH1R antagonists
  作者：Yuji Haga、Sayaka Mizutani、Akira Naya、Hiroyuki Kishino、Hisashi Iwaasa、Masahiko Ito、Junko Ito、Minoru Moriya、Nagaaki Sato、Norihiro Takenaga、Akane Ishihara、Shigeru Tokita、Akio Kanatani、Norikazu Ohtake

  DOI：10.1016/j.bmc.2010.12.002

  日期：2011.1

  The design, synthesis and structure-activity relationships of a novel class of N-phenylpyridone MCH1R antagonists are described. The core part of the N-phenylpyridone structure was newly designed and the side chain moieties that were attached to the core part were extensively explored. As a result of optimization of the N-phenylpyridone leads, we successfully developed the orally available, and brain-penetrable MCH1R selective antagonist 7c, exhibiting excellent anti-obese effect in diet-induced obese (DIO) mice. (C) 2010 Elsevier Ltd. All rights reserved.