1-phenyl-3-(4-pyridyl)-propynol | 142354-47-0

• 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
• 英文名称: 1-phenyl-3-(4-pyridyl)-propynol
• 英文别名: α-[(4-pyridinyl)ethynyl]-benzenemethanol；alpha-[(4-Pyridinyl)ethynyl]-benzenemethanol；1-phenyl-3-pyridin-4-ylprop-2-yn-1-ol
• CAS: 142354-47-0
• 化学式: C₁₄H₁₁NO
• 分子量: 209.247
• InChiKey: VODFCOSTDUVEIF-UHFFFAOYSA-N

物化性质

• 沸点：
  389.6±37.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-(4-pyridyl)-propynol 在 草酰氯 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 0.33h， 以32%的产率得到1-phenyl-3-(4-pyridyl)propynone
  参考文献：
  名称：

  Inhibition of Myeloperoxidase Release from Rat Polymorphonuclear Leukocytes by a Series of Azachalcone Derivatives

  摘要：

  A series of azachalcones was evaluated for ability to affect secretion of myeloperoxidase by rat polymorphonuclear leukocytes stimulated by fMLP. The compounds were found to interfere with cellular uptake of extracellular calcium. Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00051a013
• 作为产物：
  描述：

  (+/-)-1-苯基-2-丙炔-1-醇 、 4-溴吡啶盐酸盐 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) chloride 作用下， 以 二乙胺 为溶剂， 反应 3.0h， 以19%的产率得到1-phenyl-3-(4-pyridyl)-propynol
  参考文献：
  名称：

  Inhibition of Myeloperoxidase Release from Rat Polymorphonuclear Leukocytes by a Series of Azachalcone Derivatives

  摘要：

  A series of azachalcones was evaluated for ability to affect secretion of myeloperoxidase by rat polymorphonuclear leukocytes stimulated by fMLP. The compounds were found to interfere with cellular uptake of extracellular calcium. Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00051a013

文献信息

• 1-phenyl-3-aryl-2-propyne-1-one useful as calcium uptake inhibitors
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05223518A1

  公开（公告）日：1993-06-29

  This invention relates to 1-phenyl-3-aryl-2-propyne-1-ones, the use of these compounds as calcium uptake inhibitors in leukocytes and thrombocytes, and pharmaceutical compositions containing these compounds as active ingredients, and the process of their preparation.

  这项发明涉及1-苯基-3-芳基-2-丙炔-1-酮，这些化合物在白细胞和血小板中作为钙摄取抑制剂的用途，以及含有这些化合物作为活性成分的药物组合物，以及它们的制备过程。
• Calcium uptake inhibitors
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05409942A1

  公开（公告）日：1995-04-25

  This invention relates to 1-phenyl-3-aryl-2-propyne-1-ones, the use of these compounds as calcium uptake inhibitors in leukocytes and thrombocytes, and pharmaceutical compositions containing these compounds as active ingredients, and the process of their preparation.

  本发明涉及1-苯基-3-芳基-2-丙炔-1-酮，这些化合物作为白细胞和血小板中钙离子摄取抑制剂的用途，以及含有这些化合物作为活性成分的制药组合物和它们的制备过程。
• US5223518A
  申请人：——

  公开号：US5223518A

  公开（公告）日：1993-06-29
• US5409942A
  申请人：——

  公开号：US5409942A

  公开（公告）日：1995-04-25
• Inhibition of Myeloperoxidase Release from Rat Polymorphonuclear Leukocytes by a Series of Azachalcone Derivatives
  作者：Michael L. Edwards、David M. Stemerick、Jeffrey S. Sabol、Keith A. Diekema、Robert J. Dinerstein

  DOI：10.1021/jm00051a013

  日期：1994.12

  A series of azachalcones was evaluated for ability to affect secretion of myeloperoxidase by rat polymorphonuclear leukocytes stimulated by fMLP. The compounds were found to interfere with cellular uptake of extracellular calcium. Structure-activity relationships are discussed.