3-phenyl-4-pyridin-4'-yl-3-buten-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-phenyl-4-pyridin-4'-yl-3-buten-2-one
• 英文别名: (E)-3-phenyl-4-pyridin-4-ylbut-3-en-2-one
• 化学式: C₁₅H₁₃NO
• 分子量: 223.274
• InChiKey: IZDGEEIFMMGZFS-PTNGSMBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-吡啶甲醛 、 苯基丙酮 在 盐酸 作用下， 以 氯仿 为溶剂， 反应 48.0h， 生成 3-phenyl-4-pyridin-4'-yl-3-buten-2-one
  参考文献：
  名称：

  Intermolecular CH⋯N/CH⋯O hydrogen bonds in the crystal structures of α,β-unsaturated ketones carrying a terminal pyridine subunit

  摘要：

  alpha,beta -Unsaturated ketones 1-4 carrying a terminal pyridine subunit form aggregates in the crystalline state with the molecules linked together through CH . . .N/CH . . .O hydrogen bonds. The hydrogen-bonding motifs are discussed. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(01)00520-8

文献信息

• COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA
  申请人：Pharmacia Corporation

  公开号：EP1682143A2

  公开（公告）日：2006-07-26
• [EN] COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA<br/>[FR] ASSOCIATION DE L'INHIBITEUR DE HSP90 ET DE L'INHIBITEUR DE LA PHOPHODIESTERASE DESTINEE A TRAITER OU PREVENIR LA NEOPLASIE
  申请人：PHARMACIA CORP

  公开号：WO2005041879A2

  公开（公告）日：2005-05-12

  A method for treating or preventing neoplasia or a neoplasia-related disorder in a subject is provided, the method comprising administering to the subject an effective amount of a combination comprising an Hsp90 inhibitor and a phosphodiesterase inhibitor, and optionally a Cox-2 inhibitor.
• [EN] TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR<br/>[FR] TRAITEMENT OU PREVENTION DE LA NEOPLASIE A L'AIDE D'UN INHIBITEUR DE LA PROTEINE HSP90
  申请人：PHARMACIA CORP

  公开号：WO2005044194A2

  公开（公告）日：2005-05-19

  A method for treating or preventing neoplasia or a neoplasia-related disorder in a subject is provided, the method comprising administering to the subject an effective amount of an Hsp90 inhibitor, or of a combination comprising an Hsp90 inhibitor and a Cox-2 inhibitor.
• Intermolecular CH⋯N/CH⋯O hydrogen bonds in the crystal structures of α,β-unsaturated ketones carrying a terminal pyridine subunit
  作者：Monika Mazik、Dieter Bläser、Roland Boese

  DOI：10.1016/s0040-4020(01)00520-8

  日期：2001.7

  alpha,beta -Unsaturated ketones 1-4 carrying a terminal pyridine subunit form aggregates in the crystalline state with the molecules linked together through CH . . .N/CH . . .O hydrogen bonds. The hydrogen-bonding motifs are discussed. (C) 2001 Published by Elsevier Science Ltd.