N-[2,4-双(甲硫基)-6-甲基吡啶-3-基]-2-氯乙酰胺 | 176496-53-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[2,4-双(甲硫基)-6-甲基吡啶-3-基]-2-氯乙酰胺
• 英文名称: N-[2,4-bis(methylthio)-6-methyl-pyridin-3-yl]-2-chloroacetamide
• 英文别名: 2-chloro-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
• CAS: 176496-53-0
• 化学式: C₁₀H₁₃ClN₂OS₂
• 分子量: 276.811
• InChiKey: VZXXYWLKCFIDGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  398.8±42.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2,4-双(甲硫基)-6-甲基吡啶-3-基]-2-氯乙酰胺 在 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  ACAT inhibitors derived from hetero-Diels-Alder cycloadducts of thioaldehydes

  摘要：

  Acyl-CoA:cholesterol acyltransferase (ACAT) is the enzyme largely responsible for intracellular cholesterol esterification. A systemic inhibitor of ACAT is believed to be able to slow or even reverse the atherosclerotic process. Towards that goal, a series of cyclic sulfides, derived from the hetero-Diels-Alder reaction of thioaldehydes with 1,3-dienes, and bearing carboxamide substituents, were prepared and evaluated for in vitro (in several tissues and species) and ex vivo ACAT inhibition. Minor changes in subsequent structure were found to have a significant effect in optimization of the biological activity of this series of compounds. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company.

  DOI：

  10.1016/0968-0896(96)00143-5
• 作为产物：
  描述：

  氯乙酰氯 、 6-甲基-2,4-双(甲基硫代)-3-吡啶胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-[2,4-双(甲硫基)-6-甲基吡啶-3-基]-2-氯乙酰胺
  参考文献：
  名称：

  Amides for the treatment of atherosclerosis

  摘要：

  这项发明提供了一种酰胺化合物，作为酰基辅酶A：胆固醇O-酰基转移酶（ACAT）的抑制剂，包含该化合物的药物组合物，制备该化合物的方法，以及将该化合物用作抗高胆固醇血症和/或抗动脉粥样硬化剂的用途。

  公开号：

  US05583147A1

文献信息

• Derivatives of cyclic ethers and sulfides for the treatment of
  申请人：The Du Pont Merck Pharmaceutical Company

  公开号：US05491152A1

  公开（公告）日：1996-02-13

  The present invention provides compounds of Formula I, ##STR1## or a pharmaceutically acceptable salt forms thereof, which are inhibitors of acyl-Coenzyme A: cholesterol O-acyltransferase (ACAT), pharmaceutical compositions containing such compounds, processes for the preparation of such compounds, and the use of such compounds as antihypercholesterolemic and/or antiatherosclerotic agents.

  本发明提供了公式I的化合物，或者是其药用可接受的盐形式，这些化合物是酰辅酶A：胆固醇O-酰基转移酶（ACAT）的抑制剂，包含此类化合物的药物组合物，制备此类化合物的方法，以及将这些化合物用作抗高胆固醇血症和/或抗动脉粥样硬化剂的用途。
• Amides for the treatment of atherosclerosis
  申请人：The Dupont Merck Pharmaceutical Company

  公开号：US05583147A1

  公开（公告）日：1996-12-10

  This invention provides amide compounds as inhibitors of acyl-Coenzyme A: cholesterol O-acyltransferase (ACAT), pharmaceutical compositions containing such compounds, processes for the preparation of such compounds, and the use of such compounds as antihypercholesterolemic and/or antiatherosclerotic agents.

  这项发明提供了一种酰胺化合物，作为酰基辅酶A：胆固醇O-酰基转移酶（ACAT）的抑制剂，包含该化合物的药物组合物，制备该化合物的方法，以及将该化合物用作抗高胆固醇血症和/或抗动脉粥样硬化剂的用途。
• US5491152A
  申请人：——

  公开号：US5491152A

  公开（公告）日：1996-02-13
• US5583147A
  申请人：——

  公开号：US5583147A

  公开（公告）日：1996-12-10
• ACAT inhibitors derived from hetero-Diels-Alder cycloadducts of thioaldehydes
  作者：Richard G. Wilde、Jeffrey T. Billheimer、Sandie J. Germain、Elizabeth A. Hausner、Paul C. Meunier、Deborah A. Munzer、Janet K. Stoltenborg、Peter J. Gillies、Deborah L. Burcham、Shiew-Mai Huang、John D. Klaczkiewicz、Soo S. Ko、Ruth R. Wexler

  DOI：10.1016/0968-0896(96)00143-5

  日期：1996.9

  Acyl-CoA:cholesterol acyltransferase (ACAT) is the enzyme largely responsible for intracellular cholesterol esterification. A systemic inhibitor of ACAT is believed to be able to slow or even reverse the atherosclerotic process. Towards that goal, a series of cyclic sulfides, derived from the hetero-Diels-Alder reaction of thioaldehydes with 1,3-dienes, and bearing carboxamide substituents, were prepared and evaluated for in vitro (in several tissues and species) and ex vivo ACAT inhibition. Minor changes in subsequent structure were found to have a significant effect in optimization of the biological activity of this series of compounds. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company.