1-环己基-6-氧代-1,6-二氢-3-吡啶羧酸甲酯 | 919989-58-5

• 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: 1-环己基-6-氧代-1,6-二氢-3-吡啶羧酸甲酯
• 英文名称: methyl 1-cyclohexyl-6-oxo-1,6-dihydropyridine-3-carboxylate
• 英文别名: methyl 1-cyclohexyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate；methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate
• CAS: 919989-58-5
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: YTGQOKOEIKDGDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-环己基-6-氧代-1,6-二氢-3-吡啶羧酸甲酯 在 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以63%的产率得到1-cyclohexyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
  参考文献：
  名称：

  WO2007/62007

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 4-carbomethoxy-5-methoxy-penta-2(E),4(Z)-dienoate 、 环己胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 1-环己基-6-氧代-1,6-二氢-3-吡啶羧酸甲酯
  参考文献：
  名称：

  WO2008/140066

  摘要：

  公开号：

文献信息

• Microwave-Assisted Synthesis of New Polysubstituted Dienaminoesters and Their Cyclization to 3-Bromo-2(1<i>H</i>)-Pyridinones
  作者：Jeff Adams、Alison Hardin、Filisaty Vounatsos

  DOI：10.1021/jo0618526

  日期：2006.12.1

  A microwave-assisted, telescoped synthesis, involving a Michael-type addition followed by intramolecular cyclization, provides an effective entry to the polysubstituted 3-bromo-2(1H)-pyridinone core.

  微波辅助的望远镜式合成，其中包括迈克尔型加成，然后进行分子内环化，为多取代的3-溴-2（1 H）-吡啶酮核心提供了有效的入口。
• Beta-secretase modulators and methods of use
  申请人：Albrecht K. Brian

  公开号：US20070185103A1

  公开（公告）日：2007-08-09

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula I wherein A, B, R 3 , R 4 , R 5 , i and j are defined herein. The invention also comprises pharmaceutical compositions including one or more compounds of Formula I, methods of use for these compounds, including treatment of AD and related diseases, by administering the compound(s) of Formula I, or compositions including them, to a subject. The invention also comprises further embodiments of Formulas II and III, intermediates and processes useful for the preparation of compounds of the invention.

  本发明涉及一类新的化合物，用于调节Beta-分泌酶酶活性和治疗Beta-分泌酶介导的疾病，包括阿尔茨海默病（AD）和相关疾病。 在一种实施方式中，该化合物具有一般式I，其中A，B，R3，R4，R5，i和j在此定义。 本发明还包括包括一种或多种I式化合物的制药组合物，以及使用这些化合物的方法，包括通过向受体注射I式化合物或包含它们的组合物来治疗AD和相关疾病。 本发明还包括II式和III式的进一步实施方式，以及用于制备本发明化合物的中间体和过程。
• PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS
  申请人：Kasahara Chiyoshi

  公开号：US20100063098A1

  公开（公告）日：2010-03-11

  A compound represented by the formula (I): wherein R 1 is lower alkyl, cycloalkyl or aromatic hydrocarbon ring, each of which is optionally substituted with one or more substituents; R 2 is hydrogen atom, halogen atom, lower alkyl, halo(lower)alkyl or lower alkoxy; and R 3 is (1) a group represented by the formula: wherein R 4 is lower alkyl, etc.; (2) a group represented by the formula: wherein R 5 is lower alkyl, etc.; (3) a group represented by the formula: wherein R 6 is lower alkyl, etc.; or (4) a group selected from halogen atom, carboxy, hydroxy and lower alkoxy, or a salt thereof.

  化合物的化学式为(I)：其中R1是较低的烷基，环烷基或芳香族碳氢环，每个都可以选择性地取代一个或多个取代基；R2是氢原子，卤原子，较低的烷基，卤代（较低）烷基或较低的烷氧基；R3是（1）由式子表示的基团：其中R4是较低的烷基等；（2）由式子表示的基团：其中R5是较低的烷基等；（3）由式子表示的基团：其中R6是较低的烷基等；或（4）从卤原子，羧基，羟基和较低的烷氧基中选择的基团或其盐。
• Beta-Secretase modulators and methods of use
  申请人：Amgen Inc.

  公开号：US07872009B2

  公开（公告）日：2011-01-18

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula I wherein A, B, R3, R4, R5, i and j are defined herein. The invention also comprises pharmaceutical compositions including one or more compounds of Formula I, methods of use for these compounds, including treatment of AD and related diseases, by administering the compound(s) of Formula I, or compositions including them, to a subject. The invention also comprises further embodiments of Formulas II and III, intermediates and processes useful for the preparation of compounds of the invention.

  本发明涉及一种新型化合物类别，可用于调节β-秘鲁酶酶活性和治疗β-秘鲁酶介导的疾病，包括阿尔茨海默病（AD）和相关病症。在一种实施例中，该化合物具有一般式I，其中A、B、R3、R4、R5、i和j在此定义。本发明还包括包括一种或多种I式化合物的制药组合物，使用这些化合物的方法，包括通过将I式化合物或包括它们的组合物用于治疗AD和相关疾病来给予受试者。本发明还包括II式和III式的进一步实施例，中间体和制备本发明化合物的有用过程。
• Pyridone derivatives as p38α MAPK inhibitors
  申请人：Astellas Pharma Inc.

  公开号：US08173684B2

  公开（公告）日：2012-05-08

  A compound represented by the formula (I): wherein R1 is lower alkyl, cycloalkyl or aromatic hydrocarbon ring, each of which is optionally substituted with one or more substituents; R2 is hydrogen atom, halogen atom, lower alkyl, halo(lower)alkyl or lower alkoxy; and R3 is (1) a group represented by the formula: wherein R4 is lower alkyl, etc.; (2) a group represented by the formula: wherein R5 is lower alkyl, etc.; (3) a group represented by the formula: wherein R6 is lower alkyl, etc.; or (4) a group selected from halogen atom, carboxy, hydroxy and lower alkoxy, or a salt thereof.

  化合物的化学式为(I)：其中R1是较低的烷基、环烷基或芳香族碳氢环，每个都可以选择性地被一个或多个取代基取代；R2是氢原子、卤素原子、较低的烷基、卤代（较低）烷基或较低的烷氧基；R3是（1）由公式表示的基团：其中R4是较低的烷基等；（2）由公式表示的基团：其中R5是较低的烷基等；（3）由公式表示的基团：其中R6是较低的烷基等；或（4）从卤素原子、羧基、羟基和较低的烷氧基中选择的基团或其盐。