4-(5-嘧啶基)丁醛 | 260441-11-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-(5-嘧啶基)丁醛
• 英文名称: 4-(5-pyrimidyl)butyraldehyde
• 英文别名: 4-(Pyrimidin-5-YL)butanal；4-pyrimidin-5-ylbutanal
• CAS: 260441-11-0
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: JDMHCCLUXFMNJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3,5-dimethylphenyl)tryptamine 、 4-(5-嘧啶基)丁醛 在 sodium cyanoborohydride 、 magnesium sulfate 作用下， 以 甲醇 为溶剂， 生成 {2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-(4-pyrimidin-5-yl-butyl)-amine
  参考文献：
  名称：

  Heterocyclic Derivatives of 2-(3,5-Dimethylphenyl)tryptamine as GnRH Receptor Antagonists

  摘要：

  A series of heterocyclic 2-(3,5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. The carbon tether length and heterocyclic ring attached to the amino group of 2-(3,5-dimethylphenyl)tryptamine were varied. Several of these derivatives were potent GnRH antagonists with the most potent compound having an IC50 of 16nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00133-0
• 作为产物：
  描述：

  5-pyrimidinebutanol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-(5-嘧啶基)丁醛
  参考文献：
  名称：

  Heterocyclic Derivatives of 2-(3,5-Dimethylphenyl)tryptamine as GnRH Receptor Antagonists

  摘要：

  A series of heterocyclic 2-(3,5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. The carbon tether length and heterocyclic ring attached to the amino group of 2-(3,5-dimethylphenyl)tryptamine were varied. Several of these derivatives were potent GnRH antagonists with the most potent compound having an IC50 of 16nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00133-0

文献信息

• Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP)
  申请人：AstraZeneca AB

  公开号：US20040171641A1

  公开（公告）日：2004-09-02

  Arylpiperazines of formula (I) useful as metalloproteinase inhibitors, especially as inhibitors of MMP 13. 1

  公式(I)的芳基哌嗪物可用作金属蛋白酶抑制剂，特别是作为MMP 13.1的抑制剂。
• ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP)
  申请人：AstraZeneca AB

  公开号：EP1109787B1

  公开（公告）日：2006-05-17
• US6734184B1
  申请人：——

  公开号：US6734184B1

  公开（公告）日：2004-05-11
• US7342020B2
  申请人：——

  公开号：US7342020B2

  公开（公告）日：2008-03-11
• [EN] ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP)<br/>[FR] ARYLPIPERAZINES ET LEUR EMPLOI COMME INHIBITEURS DES METALLOPROTEINASES
  申请人：ZENECA LTD

  公开号：WO2000012478A1

  公开（公告）日：2000-03-09

  Arylpiperazines of formula (I) useful as metalloproteinase inhibitors, especially as inhibitors of MMP 13.